[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9456 |
| Compound Name: | [3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C29 H31 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1cccc(c1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1063 |
| logD: | 3.9756 |
| logSw: | -4.2459 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.814 |
| InChI Key: | YQASTZJPLWMDTG-UHFFFAOYSA-N |