8-chloro-1-methyl-N-({1-[(2-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-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-chloro-1-methyl-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1104 |
| Compound Name: | 8-chloro-1-methyl-N-({1-[(2-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: | Cc1ccccc1CN1CCC(CC1)CNC(c1c2CSc3ccc(cc3c2n(C)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2152 |
| logD: | 3.2469 |
| logSw: | -5.4954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.707 |
| InChI Key: | WMMVXPRTZAWQOK-UHFFFAOYSA-N |