NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(1,3-benzothiazol-2-yl)-1-{2-ethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propan-1-one
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IUPAC Traditional name
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3-(1,3-benzothiazol-2-yl)-1-{2-ethyl-5H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propan-1-one
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Synonyms
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6-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
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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)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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2.6216373
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LogD (pH = 7.4)
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2.6218185
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Log P
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2.621821
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Molar Refractivity
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92.6389 cm3
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Polarizability
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36.71157 Å3
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Polar Surface Area
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58.98 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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0
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Log P
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1.88
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LOG S
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-3.27
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Polar Surface Area
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58.98 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent