methyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
methyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | G269-0245 |
| Compound Name: | methyl 4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3132 |
| logD: | 2.7289 |
| logSw: | -3.9099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.445 |
| InChI Key: | CVIXPSGTLVUIGL-UHFFFAOYSA-N |