3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
Chemical Structure Depiction of
3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-2074 |
| Compound Name: | 3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide |
| Molecular Weight: | 454.94 |
| Molecular Formula: | C21 H19 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CCc1nc(CSc2nnc(c3ccc(cc3)[Cl])[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1106 |
| logD: | 2.9099 |
| logSw: | -4.4543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.957 |
| InChI Key: | OFCUXPYCYRNECG-UHFFFAOYSA-N |