N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,1,3-benzothiadiazole-4-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,1,3-benzothiadiazole-4-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,1,3-benzothiadiazole-4-sulfonyl)propanamide
Compound characteristics
| Compound ID: | C105-0786 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,1,3-benzothiadiazole-4-sulfonyl)propanamide |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H15 N3 O5 S2 |
| Smiles: | C(CS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0746 |
| logD: | 2.0746 |
| logSw: | -2.8071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.543 |
| InChI Key: | QXAFBNDFPQBKRI-UHFFFAOYSA-N |