8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0919 |
| Compound Name: | 8-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 472.01 |
| Molecular Formula: | C24 H26 Cl N3 O3 S |
| Smiles: | CCOc1ccc(CCNC(c2c3CSc4ccc(cc4c3n(C)n2)[Cl])=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.7615 |
| logD: | 3.7615 |
| logSw: | -4.382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.237 |
| InChI Key: | HSMVGDVAYSNCIB-UHFFFAOYSA-N |