N-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2298 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-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: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7073 |
| logD: | 2.3717 |
| logSw: | -3.3471 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.155 |
| InChI Key: | XOZFAQITCAPXIE-SNVBAGLBSA-N |