3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)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-(5-methyl-1,2-oxazol-3-yl)propanamide
3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Compound characteristics
| Compound ID: | J021-2523 |
| Compound Name: | 3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide |
| Molecular Weight: | 445.89 |
| Molecular Formula: | C18 H16 Cl N7 O3 S |
| Smiles: | Cc1cc(NC(CCc2nc(CSc3nnc(c4ccc(cc4)[Cl])[nH]3)no2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.0615 |
| logD: | 1.8608 |
| logSw: | -3.7121 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.752 |
| InChI Key: | NALJGHWMPNMLJT-UHFFFAOYSA-N |