N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1433 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide |
| Molecular Weight: | 380.81 |
| Molecular Formula: | C15 H13 Cl N4 O4 S |
| Smiles: | C(CNS(c1cccc2c1non2)(=O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9442 |
| logD: | 2.9387 |
| logSw: | -3.6496 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.077 |
| InChI Key: | PNEHQUNNEWZPNO-UHFFFAOYSA-N |