methyl N-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Chemical Structure Depiction of
methyl N-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
methyl N-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate
Compound characteristics
| Compound ID: | G008-2474 |
| Compound Name: | methyl N-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenyl-beta-alaninate |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H22 N2 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N(CCC(=O)OC)c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7732 |
| logD: | 2.7729 |
| logSw: | -3.5447 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.773 |
| InChI Key: | QMQVWWKZALIPCQ-CQSZACIVSA-N |