N-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1855 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C19 H22 N2 O4 S2 |
| Smiles: | CCOc1ccc(CNS(c2ccc3c(c2)NC(C(C)CS3)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4095 |
| logD: | 3.4091 |
| logSw: | -3.7368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.329 |
| InChI Key: | UNHFCJGTLAFBAO-CYBMUJFWSA-N |