ethyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V009-7384 |
| Compound Name: | ethyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cccnc2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.921 |
| logD: | 3.9168 |
| logSw: | -3.638 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | YEUFUMOUXPGPKK-KRWDZBQOSA-N |