N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0131 |
| Compound Name: | N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.607 |
| logD: | 1.3131 |
| logSw: | -3.7874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | XQMZPOFCVNGLOT-UHFFFAOYSA-N |