1-{4-[4-(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | G541-0539 |
| Compound Name: | 1-{4-[4-(1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1c2CSc3ccc(C)cc3c2n(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.404 |
| logD: | 3.404 |
| logSw: | -3.7351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.297 |
| InChI Key: | JVNWPWBTGLKLSD-UHFFFAOYSA-N |