ethyl 1-{2-(3,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-(3,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
ethyl 1-{2-(3,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V002-7347 |
| Compound Name: | ethyl 1-{2-(3,5-dimethylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 520.59 |
| Molecular Formula: | C28 H32 N4 O6 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2cccc(c2)OC)C(N(c2cc(C)cc(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2212 |
| logD: | 4.2212 |
| logSw: | -4.2425 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.191 |
| InChI Key: | HZRFOMVAZCUQCS-UHFFFAOYSA-N |