N-benzyl-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-benzyl-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-benzyl-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2568 |
| Compound Name: | N-benzyl-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(NCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1396 |
| logD: | 2.1394 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.683 |
| InChI Key: | WGAUAFLFRJAPAQ-CQSZACIVSA-N |