5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0082 |
| Compound Name: | 5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0636 |
| logD: | 3.0634 |
| logSw: | -3.5311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.495 |
| InChI Key: | PBKWVZZKTMZVCU-UHFFFAOYSA-N |