N-[2-(4-chlorophenyl)ethyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[2-(4-chlorophenyl)ethyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2395 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 467 |
| Molecular Formula: | C21 H23 Cl N2 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(NCCc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.509 |
| logD: | 2.5088 |
| logSw: | -3.3295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.525 |
| InChI Key: | PSDCBRPASVJWPB-CQSZACIVSA-N |