ethyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
ethyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G008-1751 |
| Compound Name: | ethyl 4-[(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7139 |
| logD: | 3.1297 |
| logSw: | -3.9689 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.85 |
| InChI Key: | IAUIITXJKWHYAG-GFCCVEGCSA-N |