N-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3288 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C17 H16 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9125 |
| logD: | 2.5769 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.212 |
| InChI Key: | TUDCIUQUEUWGSW-SNVBAGLBSA-N |