ethyl 1-{4-[(4-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-[(4-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-[(4-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: | V023-5801 |
Compound Name: | ethyl 1-{4-[(4-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(Cc2ccc(C)cc2)C(N(c2ccc(cc2)C(C)C)N=1)=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9474 |
logD: | 4.9474 |
logSw: | -4.4625 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 79.58 |
InChI Key: | VEEOVJDIHUGABY-QHCPKHFHSA-N |