3-{3-[(4-chlorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{3-[(4-chlorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-{3-[(4-chlorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | G729-1635 |
| Compound Name: | 3-{3-[(4-chlorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 465.98 |
| Molecular Formula: | C20 H20 Cl N3 O4 S2 |
| Smiles: | CSc1ccc(CNC(CCc2nc(CS(c3ccc(cc3)[Cl])(=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3979 |
| logD: | 3.3979 |
| logSw: | -3.9108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.808 |
| InChI Key: | CUFIXIUSNHKUPR-UHFFFAOYSA-N |