8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1100 |
| Compound Name: | 8-chloro-1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 481.06 |
| Molecular Formula: | C26 H29 Cl N4 O S |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNC(c2c3CSc4ccc(cc4c3n(C)n2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8659 |
| logD: | 2.1449 |
| logSw: | -4.7127 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.707 |
| InChI Key: | QBLLSYWEOBVXTD-UHFFFAOYSA-N |