NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[2-({[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(thiomorpholin-4-yl)propan-2-ol
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IUPAC Traditional name
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1-[2-({[(1-methylpyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(thiomorpholin-4-yl)propan-2-ol
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Synonyms
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1-[2-({[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenoxy]-3-(4-thiomorpholinyl)-2-propanol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.078962
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-3.4283695
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LogD (pH = 7.4)
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0.036006603
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Log P
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1.2757249
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Molar Refractivity
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118.6269 cm3
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Polarizability
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41.740387 Å3
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Polar Surface Area
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62.55 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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2
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Log P
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0.7
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LOG S
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-2.55
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Polar Surface Area
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62.55 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent