N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-1075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C19 H18 N2 O6 S2 |
| Smiles: | C(CS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1229 |
| logD: | 1.1229 |
| logSw: | -2.2668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.411 |
| InChI Key: | ARQSZKNXGFSRBG-UHFFFAOYSA-N |