(4-ethylpiperazin-1-yl)[2-({[4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(4-ethylpiperazin-1-yl)[2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V027-9779 |
| Compound Name: | (4-ethylpiperazin-1-yl)[2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C28 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1185 |
| logD: | 2.9423 |
| logSw: | -3.2842 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.745 |
| InChI Key: | YFGHAVXVNBYKFO-UHFFFAOYSA-N |