1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C660-0604 |
| Compound Name: | 1-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9445 |
| logD: | 0.2235 |
| logSw: | -3.7353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.233 |
| InChI Key: | RXZLCTYKRIINHN-UHFFFAOYSA-N |