ethyl 1-{2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)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-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
ethyl 1-{2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V003-1298 |
| Compound Name: | ethyl 1-{2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 525 |
| Molecular Formula: | C27 H29 Cl N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2cccc(C)c2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0559 |
| logD: | 5.0559 |
| logSw: | -5.251 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.647 |
| InChI Key: | DOFOOGFXAGRVHL-UHFFFAOYSA-N |