4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(3-phenylpropanoyl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(3-phenylpropanoyl)piperazin-1-yl]butan-1-one
4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(3-phenylpropanoyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V025-1432 |
| Compound Name: | 4-{[4-(2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(3-phenylpropanoyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 567.75 |
| Molecular Formula: | C33 H37 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CCc1ccccc1)=O)C(CCCSc1nnc(c2ccccc2)n1c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5874 |
| logD: | 5.5874 |
| logSw: | -5.3304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.951 |
| InChI Key: | SEXIXSKYGFEQDL-SANMLTNESA-N |