N-(3-chloro-4-methylphenyl)-2-{[5-(4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[5-(4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[5-(4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K784-2324 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[5-(4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(c[nH]n2)C1=O)SCC(Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5631 |
| logD: | 4.563 |
| logSw: | -4.5899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | AHJUFSTUPNKXNQ-UHFFFAOYSA-N |