N-(3-acetylphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3-acetylphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1302 |
| Compound Name: | N-(3-acetylphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C21 H22 N2 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1cccc(c1)C(C)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.975 |
| logD: | 1.9741 |
| logSw: | -2.7754 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.131 |
| InChI Key: | HZKYKOGINYLJBA-CYBMUJFWSA-N |