ethyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
ethyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | E975-1551 |
| Compound Name: | ethyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.068 |
| logD: | 2.4837 |
| logSw: | -3.5516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.794 |
| InChI Key: | QHOTYKVXNHABQM-UHFFFAOYSA-N |