N-(3-chloro-2-methylphenyl)-2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K829-0467 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[5-(3-chloro-2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H17 Cl2 N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5218 |
| logD: | 4.5206 |
| logSw: | -4.5212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.577 |
| InChI Key: | PENWWFYAFXYRBW-UHFFFAOYSA-N |