5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0149 |
| Compound Name: | 5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0225 |
| logD: | 2.6868 |
| logSw: | -3.5789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.387 |
| InChI Key: | UDKPLTGIGBCGDP-UHFFFAOYSA-N |