N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1437 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C17 H17 Cl N4 O4 S |
| Smiles: | C(CNS(c1cccc2c1non2)(=O)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4191 |
| logD: | 2.4152 |
| logSw: | -3.2785 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.241 |
| InChI Key: | SSLYGIHYRXCXFD-UHFFFAOYSA-N |