ethyl 1-{2-(4-chlorophenyl)-4-[(4-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-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V022-9318 |
| Compound Name: | ethyl 1-{2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-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(Cc2ccc(cc2)F)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8096 |
| logD: | 3.8096 |
| logSw: | -4.2613 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | PGBHRVZZJSNWPQ-KRWDZBQOSA-N |