8-chloro-1-methyl-N-[(4-methylphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-1-methyl-N-[(4-methylphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-1-methyl-N-[(4-methylphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0963 |
| Compound Name: | 8-chloro-1-methyl-N-[(4-methylphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | Cc1ccc(CNC(c2c3CSc4ccc(cc4c3n(C)n2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2431 |
| logD: | 4.2431 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.975 |
| InChI Key: | CKXWTLWYNNAWCO-UHFFFAOYSA-N |