N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2842 |
| Compound Name: | N-({1-[(2-methoxyphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C23 H29 N3 O4 S2 |
| Smiles: | COc1ccccc1CN1CCC(CC1)CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2897 |
| logD: | 1.5068 |
| logSw: | -3.7518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.511 |
| InChI Key: | KXUZUEMBGNTQNL-UHFFFAOYSA-N |