2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V010-1962 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 609.67 |
| Molecular Formula: | C31 H30 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(c1)C(F)(F)F)=O)C(CSc1nnc(c2ccc(C)cc2)n1c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6413 |
| logD: | 5.6413 |
| logSw: | -5.606 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.323 |
| InChI Key: | MMMFIQXDUUNZHR-NRFANRHFSA-N |