N-(4-acetamidophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-acetamidophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2545 |
| Compound Name: | N-(4-acetamidophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(cc1)NC(C)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6406 |
| logD: | 1.6404 |
| logSw: | -2.3466 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.623 |
| InChI Key: | MJEPISWFSRZSDN-CYBMUJFWSA-N |