N-[(3-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(3-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0595 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(NCc2cccc(c2)[Cl])=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 4.2427 |
| logD: | 4.2427 |
| logSw: | -4.5229 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.975 |
| InChI Key: | YZBYDBNBXIQODW-UHFFFAOYSA-N |