methyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V016-7310 |
| Compound Name: | methyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2cccnc2)n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0654 |
| logD: | 3.0612 |
| logSw: | -2.9806 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.676 |
| InChI Key: | XKYCDPKAUHHRIE-ZDUSSCGKSA-N |