ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V003-4041 |
| Compound Name: | ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 525 |
| Molecular Formula: | C27 H29 Cl N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)[Cl])C(N(c2cc(C)cc(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8574 |
| logD: | 4.8574 |
| logSw: | -4.7999 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.58 |
| InChI Key: | QKPQRLNBFIZAHZ-FQEVSTJZSA-N |