ethyl 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V016-4724 |
| Compound Name: | ethyl 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2cccc(c2)OC)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5025 |
| logD: | 4.5025 |
| logSw: | -4.3439 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.282 |
| InChI Key: | PYCDXUXCPITMTB-AWEZNQCLSA-N |