ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V002-4261 |
| Compound Name: | ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 514.94 |
| Molecular Formula: | C25 H24 Cl F N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)[Cl])C(N(c2ccccc2F)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8482 |
| logD: | 3.8482 |
| logSw: | -4.2042 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.279 |
| InChI Key: | YCXSRDBEPSWCKU-KRWDZBQOSA-N |