N-(2,5-dimethoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-(2,5-dimethoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | L705-0494 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C21 H24 N2 O6 S2 |
| Smiles: | CC(CC(Nc1cc(ccc1OC)OC)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9856 |
| logD: | 1.978 |
| logSw: | -2.9196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.517 |
| InChI Key: | NMMFSUMQDCPESU-ZDUSSCGKSA-N |