5-acetyl-N-{3-[benzyl(ethyl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{3-[benzyl(ethyl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{3-[benzyl(ethyl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0287 |
| Compound Name: | 5-acetyl-N-{3-[benzyl(ethyl)amino]propyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 461.64 |
| Molecular Formula: | C23 H31 N3 O3 S2 |
| Smiles: | CCN(CCCNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6462 |
| logD: | 2.4519 |
| logSw: | -3.7708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.908 |
| InChI Key: | PRAFDMPRPCEJER-UHFFFAOYSA-N |