[4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V005-0632 |
| Compound Name: | [4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C26 H33 N5 O3 S |
| Smiles: | CC(COC)n1c(c2cccc(c2)OC)nnc1SCc1ccc(cc1)C(N1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7129 |
| logD: | 2.5823 |
| logSw: | -3.0088 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.993 |
| InChI Key: | LQYCWUDGSUVLCJ-IBGZPJMESA-N |