N-[(2-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2851 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C23 H29 N3 O4 S2 |
| Smiles: | CN1CCC(CC1)N(Cc1ccccc1OC)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9203 |
| logD: | 1.433 |
| logSw: | -3.5872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.884 |
| InChI Key: | YRAQNUNNSDGEJI-UHFFFAOYSA-N |