ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)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-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V023-6705 |
| Compound Name: | ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 540.55 |
| Molecular Formula: | C27 H29 F N4 O7 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)F)C(N(c2ccc(c(c2)OC)OC)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9704 |
| logD: | 2.9704 |
| logSw: | -3.1675 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.841 |
| InChI Key: | YDKZVQLNYDPAQE-SFHVURJKSA-N |