N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2839 |
| Compound Name: | N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C24 H31 N3 O4 S2 |
| Smiles: | COc1cccc(CCN2CCC(CC2)CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4395 |
| logD: | 1.6425 |
| logSw: | -3.96 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.403 |
| InChI Key: | YLIILXUERMVTEK-UHFFFAOYSA-N |