N-(3-chloro-2-methylphenyl)-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(3-chloro-2-methylphenyl)-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1279 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3145 |
| logD: | 3.3144 |
| logSw: | -3.4437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.638 |
| InChI Key: | KICWAJIGCBWSPN-UHFFFAOYSA-N |