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1-methyl-9-(4-phenyl-1,3-thiazole-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

ChemBase ID: 340987
Molecular Formular: C19H22N4O2S
Molecular Mass: 370.46858
Monoisotopic Mass: 370.14634696
SMILES and InChIs

SMILES:
c1(nc(cs1)c1ccccc1)C(=O)N1CCC2(C(=O)NCCN2C)CC1
Canonical SMILES:
CN1CCNC(=O)C21CCN(CC2)C(=O)c1scc(n1)c1ccccc1
InChI:
InChI=1S/C19H22N4O2S/c1-22-12-9-20-18(25)19(22)7-10-23(11-8-19)17(24)16-21-15(13-26-16)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,25)
InChIKey:
JGBDYWYIOREABQ-UHFFFAOYSA-N

Cite this record

CBID:340987 http://www.chembase.cn/molecule-340987.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-9-(4-phenyl-1,3-thiazole-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
IUPAC Traditional name
1-methyl-9-(4-phenyl-1,3-thiazole-2-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
Synonyms
1-methyl-9-[(4-phenyl-1,3-thiazol-2-yl)carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.676033  H Acceptors
H Donor LogD (pH = 5.5) 0.1880177 
LogD (pH = 7.4) 1.255001  Log P 1.3187966 
Molar Refractivity 100.705 cm3 Polarizability 39.75789 Å3
Polar Surface Area 65.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.77  LOG S -2.56 
Polar Surface Area 65.54 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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