ethyl 1-{2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V023-0068 |
| Compound Name: | ethyl 1-{2-(3-fluoro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C27 H29 F N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(C)c2)C(N(c2ccc(C)c(c2)F)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4983 |
| logD: | 4.4983 |
| logSw: | -4.3078 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | JTPFSNZHFUDBFI-FQEVSTJZSA-N |