8-chloro-1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1011 |
| Compound Name: | 8-chloro-1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 397.93 |
| Molecular Formula: | C21 H20 Cl N3 O S |
| Smiles: | Cc1ccc(CCNC(c2c3CSc4ccc(cc4c3n(C)n2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1766 |
| logD: | 4.1766 |
| logSw: | -4.516 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.816 |
| InChI Key: | NYNVMEGOKYQOSU-UHFFFAOYSA-N |