ethyl N-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-benzyl-beta-alaninate
Chemical Structure Depiction of
ethyl N-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-benzyl-beta-alaninate
ethyl N-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-benzyl-beta-alaninate
Compound characteristics
| Compound ID: | G269-0436 |
| Compound Name: | ethyl N-(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-benzyl-beta-alaninate |
| Molecular Weight: | 476.61 |
| Molecular Formula: | C23 H28 N2 O5 S2 |
| Smiles: | CCOC(CCN(Cc1ccccc1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7826 |
| logD: | 3.7826 |
| logSw: | -3.8708 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 68.134 |
| InChI Key: | ODYOSKPKKBZVEY-UHFFFAOYSA-N |