(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V016-3982 |
| Compound Name: | (4-ethylpiperazin-1-yl)[4-({[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C28 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccncc3)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7148 |
| logD: | 2.5386 |
| logSw: | -2.845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.655 |
| InChI Key: | JBMSTVUSOVJQAO-UHFFFAOYSA-N |