ethyl 1-[2-(3,4-dimethylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3,4-dimethylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
ethyl 1-[2-(3,4-dimethylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V023-7733 |
| Compound Name: | ethyl 1-[2-(3,4-dimethylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 558.56 |
| Molecular Formula: | C28 H29 F3 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1598 |
| logD: | 5.1598 |
| logSw: | -4.9754 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.647 |
| InChI Key: | DLFRFVJNBRGTPV-UHFFFAOYSA-N |