[2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9815 |
| Compound Name: | [2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C27 H28 N6 O2 S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7738 |
| logD: | 2.6431 |
| logSw: | -3.1817 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.685 |
| InChI Key: | VWLHNYFAITVUFH-UHFFFAOYSA-N |