ethyl N-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Chemical Structure Depiction of
ethyl N-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
ethyl N-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Compound characteristics
| Compound ID: | G008-3465 |
| Compound Name: | ethyl N-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CCOC(CCN(c1ccccc1)S(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.435 |
| logD: | 3.4346 |
| logSw: | -3.8428 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.41 |
| InChI Key: | IGLMAVLDLYBQSK-OAHLLOKOSA-N |