ethyl 1-(3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl)piperidine-3-carboxylate
ethyl 1-(3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V021-4852 |
| Compound Name: | ethyl 1-(3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl)piperidine-3-carboxylate |
| Molecular Weight: | 530.5 |
| Molecular Formula: | C26 H25 F3 N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.937 |
| logD: | 3.937 |
| logSw: | -3.8288 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | VCLKRXPQBCNNBH-SFHVURJKSA-N |