N-(2-methoxy-5-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(2-methoxy-5-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0467 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(Nc2cc(C)ccc2OC)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 3.9892 |
| logD: | 3.9889 |
| logSw: | -4.2278 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.585 |
| InChI Key: | KVXURMOGCDBCIL-UHFFFAOYSA-N |