8-chloro-1-methyl-N-(4-phenylbutan-2-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-1-methyl-N-(4-phenylbutan-2-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-1-methyl-N-(4-phenylbutan-2-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0959 |
| Compound Name: | 8-chloro-1-methyl-N-(4-phenylbutan-2-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 411.95 |
| Molecular Formula: | C22 H22 Cl N3 O S |
| Smiles: | CC(CCc1ccccc1)NC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5407 |
| logD: | 4.5407 |
| logSw: | -4.7217 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.416 |
| InChI Key: | ZLSXDMHMMGWFNU-AWEZNQCLSA-N |