ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V030-9976 |
| Compound Name: | ethyl 2-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cccnc2)n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4659 |
| logD: | 4.4617 |
| logSw: | -3.9616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | MABAZOOZIQKGJC-SFHVURJKSA-N |