N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2511 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.939 |
| logD: | 1.935 |
| logSw: | -2.8394 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.378 |
| InChI Key: | XIKJXFLWXOHRKT-UHFFFAOYSA-N |