ethyl 1-[4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
ethyl 1-[4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V011-4202 |
| Compound Name: | ethyl 1-[4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate |
| Molecular Weight: | 510.98 |
| Molecular Formula: | C26 H27 Cl N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2ccccc2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4455 |
| logD: | 4.4455 |
| logSw: | -4.5798 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | JGDVVEHCXGFWNH-IBGZPJMESA-N |