3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | L705-2485 |
| Compound Name: | 3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C20 H22 N2 O4 S3 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9003 |
| logD: | 2.9001 |
| logSw: | -3.5315 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.361 |
| InChI Key: | KIOLQICMKMKRDY-CYBMUJFWSA-N |