ethyl 2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V026-1937 |
| Compound Name: | ethyl 2-{[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2cccc(C)c2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8114 |
| logD: | 4.8113 |
| logSw: | -4.5639 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.738 |
| InChI Key: | CMGVBJSFLABXAR-HNNXBMFYSA-N |