ethyl 1-{2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
ethyl 1-{2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V023-0953 |
| Compound Name: | ethyl 1-{2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C27 H29 F N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2cccc(c2)F)C(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4092 |
| logD: | 4.4092 |
| logSw: | -4.2346 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.647 |
| InChI Key: | DEMXGHKNJIPAHT-UHFFFAOYSA-N |