ethyl 1-{4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V006-2314 |
| Compound Name: | ethyl 1-{4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 526.98 |
| Molecular Formula: | C26 H27 Cl N4 O6 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2ccccc2[Cl])C(N(c2cccc(c2)OC)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8384 |
| logD: | 3.8384 |
| logSw: | -4.2404 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.124 |
| InChI Key: | GAKSIKYPQIYKJM-SFHVURJKSA-N |