N-(2,5-dimethoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(2,5-dimethoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2459 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C21 H24 N2 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1cc(ccc1OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1228 |
| logD: | 2.1179 |
| logSw: | -3.0209 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.838 |
| InChI Key: | DMYAZWJNIUICHM-CYBMUJFWSA-N |