N-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl]-beta-alanine
Chemical Structure Depiction of
N-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl]-beta-alanine
N-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl]-beta-alanine
Compound characteristics
| Compound ID: | J057-1000 |
| Compound Name: | N-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl]-beta-alanine |
| Molecular Weight: | 407.83 |
| Molecular Formula: | C17 H14 Cl N3 O5 S |
| Smiles: | C(CNS(c1ccc(c(c1)c1nnc(c2ccccc2)o1)[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2692 |
| logD: | -0.5897 |
| logSw: | -3.4968 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.738 |
| InChI Key: | SQRYWNHWIPUXDJ-UHFFFAOYSA-N |