ethyl 2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)pentanoate
Chemical Structure Depiction of
ethyl 2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)pentanoate
ethyl 2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)pentanoate
Compound characteristics
| Compound ID: | V013-6590 |
| Compound Name: | ethyl 2-({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)pentanoate |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccncc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0999 |
| logD: | 5.0999 |
| logSw: | -4.8778 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.166 |
| InChI Key: | OLWOOTKJIMPMFO-KRWDZBQOSA-N |