ethyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
ethyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G269-0108 |
| Compound Name: | ethyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H22 N2 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8239 |
| logD: | 3.2396 |
| logSw: | -3.9499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.025 |
| InChI Key: | CPUXMENLHFVHJD-UHFFFAOYSA-N |