ethyl 1-{4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V002-3961 |
| Compound Name: | ethyl 1-{4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C29 H34 N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2ccccc2C)C(N(c2ccc(cc2)C(C)C)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1426 |
| logD: | 5.1426 |
| logSw: | -4.8549 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | NZOGTWXGOMMAPR-QHCPKHFHSA-N |