ethyl 1-{4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V002-4246 |
| Compound Name: | ethyl 1-{4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 560.53 |
| Molecular Formula: | C27 H27 F3 N4 O6 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)OC)C(N(c2ccc(cc2)C(F)(F)F)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1139 |
| logD: | 4.1139 |
| logSw: | -4.2704 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.124 |
| InChI Key: | NKHLWXXCQBQACZ-SFHVURJKSA-N |