(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V030-0283 |
| Compound Name: | (4-ethylpiperazin-1-yl)[3-({[4-(2-fluorophenyl)-5-(pyridin-4-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(c1cccc(CSc2nnc(c3ccncc3)n2c2ccccc2F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0993 |
| logD: | 2.9231 |
| logSw: | -3.2446 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.025 |
| InChI Key: | AYIGBUVSUFGADU-UHFFFAOYSA-N |