ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V023-0977 |
| Compound Name: | ethyl 1-{2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 552.58 |
| Molecular Formula: | C28 H32 N4 O8 |
| Smiles: | CCOC(C1CCCN(C1)C(C1C(N(Cc2cccc(c2)OC)C(N(c2ccc(c(c2)OC)OC)N=1)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9036 |
| logD: | 2.9036 |
| logSw: | -3.191 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.385 |
| InChI Key: | BSIYCYPOVBOJSZ-IBGZPJMESA-N |