ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V030-9540 |
| Compound Name: | ethyl 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccc(cc2)OC)n1C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8036 |
| logD: | 5.8036 |
| logSw: | -5.3575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.115 |
| InChI Key: | CJEYZMKGPGJQKY-IBGZPJMESA-N |