N-(3-chloro-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(3-chloro-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1320 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 369.87 |
| Molecular Formula: | C19 H16 Cl N3 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7598 |
| logD: | 4.7581 |
| logSw: | -4.8228 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.653 |
| InChI Key: | MJRKIRFCBPZKGP-UHFFFAOYSA-N |