methyl N-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Chemical Structure Depiction of
methyl N-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
methyl N-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Compound characteristics
| Compound ID: | G008-2866 |
| Compound Name: | methyl N-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | COC(CCN(c1ccccc1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3325 |
| logD: | 2.3323 |
| logSw: | -3.0396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.773 |
| InChI Key: | SFBLXUBXEOOJDT-UHFFFAOYSA-N |