[2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
[2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9816 |
| Compound Name: | [2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C28 H30 N6 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5476 |
| logD: | 3.3714 |
| logSw: | -3.3356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.672 |
| InChI Key: | GFMMFVKWHXVQJD-UHFFFAOYSA-N |