[2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl][4-(2-ethoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl][4-(2-ethoxyphenyl)piperazin-1-yl]methanone
[2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl][4-(2-ethoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V027-0513 |
| Compound Name: | [2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl][4-(2-ethoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 632.21 |
| Molecular Formula: | C31 H30 Cl N7 O2 S2 |
| Salt: | not_available |
| Smiles: | CCOc1ccccc1N1CCN(CC1)C(c1csc(CSc2nnc(c3cccnc3)n2c2cc(ccc2C)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.877 |
| logD: | 5.8728 |
| logSw: | -5.9355 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.248 |
| InChI Key: | LJHHTXWTOILCJF-UHFFFAOYSA-N |