N-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3,4-dimethoxyphenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1185 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-3-(2-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: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7691 |
| logD: | 1.7687 |
| logSw: | -2.569 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.565 |
| InChI Key: | ALBOLUNBCSJVKK-CYBMUJFWSA-N |