N-(4-bromo-2-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(4-bromo-2-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0412 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 428.35 |
| Molecular Formula: | C20 H18 Br N3 O S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(Nc2ccc(cc2C)[Br])=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 4.9705 |
| logD: | 4.9686 |
| logSw: | -4.5174 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.955 |
| InChI Key: | OLGSUIOSPDECHO-UHFFFAOYSA-N |