N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1529 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)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: | C1CSc2ccc(cc2NC1=O)S(NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3077 |
| logD: | 2.3075 |
| logSw: | -2.9968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.264 |
| InChI Key: | OOBWXCFSNFRCHV-UHFFFAOYSA-N |