ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V001-8662 |
| Compound Name: | ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccc(cc2)OC)n1C1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8441 |
| logD: | 4.844 |
| logSw: | -4.3905 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.115 |
| InChI Key: | JJYKEWOWDWFOJX-AWEZNQCLSA-N |