ethyl 1-[2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
ethyl 1-[2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V006-9463 |
| Compound Name: | ethyl 1-[2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate |
| Molecular Weight: | 544.53 |
| Molecular Formula: | C27 H27 F3 N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)C(F)(F)F)C(N(c2cccc(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4458 |
| logD: | 4.4458 |
| logSw: | -4.3778 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | VQJWILMPYJQAJU-IBGZPJMESA-N |