(4-ethylpiperazin-1-yl)[2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V030-0310 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C28 H30 N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2ccncc2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9966 |
| logD: | 3.8204 |
| logSw: | -3.9617 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.326 |
| InChI Key: | OLYRAKPKULVUQP-UHFFFAOYSA-N |