ethyl 1-[2-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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: | V002-4195 |
| Compound Name: | ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 578.98 |
| Molecular Formula: | C27 H26 Cl F3 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(C)c(c2)[Cl])N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2821 |
| logD: | 5.2821 |
| logSw: | -5.9295 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.647 |
| InChI Key: | YXGGXNUQMUQLAK-UHFFFAOYSA-N |