3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | G729-1129 |
| Compound Name: | 3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(CCC(NCc2ccc(cc2)SC)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2266 |
| logD: | 3.2266 |
| logSw: | -3.5132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.808 |
| InChI Key: | MMZPZTHPYQGLED-UHFFFAOYSA-N |