methyl 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V018-0959 |
| Compound Name: | methyl 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 387.89 |
| Molecular Formula: | C19 H18 Cl N3 O2 S |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccccc2[Cl])n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7777 |
| logD: | 4.7776 |
| logSw: | -4.8708 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.158 |
| InChI Key: | KATRJJRGAFFHMJ-ZDUSSCGKSA-N |