(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-3794 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C27 H27 F N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3707 |
| logD: | 3.1945 |
| logSw: | -3.4101 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.415 |
| InChI Key: | AYLLZFDVOCDXAC-UHFFFAOYSA-N |