N-(butan-2-yl)-2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(butan-2-yl)-2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | E960-0973 |
Compound Name: | N-(butan-2-yl)-2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
Molecular Weight: | 447.99 |
Molecular Formula: | C21 H26 Cl N5 O2 S |
Smiles: | CCC(C)NC(CSC1=Nc2c(C)nn(CC)c2C(N1Cc1ccc(cc1)[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9957 |
logD: | 2.9957 |
logSw: | -3.5422 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.623 |
InChI Key: | OZKNZSVGCSEKFK-ZDUSSCGKSA-N |