[4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-8454 |
| Compound Name: | [4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 519.07 |
| Molecular Formula: | C27 H27 Cl N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5467 |
| logD: | 3.3705 |
| logSw: | -3.8167 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.326 |
| InChI Key: | ZGUQJXAQNPSFDU-UHFFFAOYSA-N |