ethyl 1-{4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
ethyl 1-{4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V023-8444 |
| Compound Name: | ethyl 1-{4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C28 H32 N4 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2ccccc2)C(N(c2ccc(cc2)C(C)C)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4879 |
| logD: | 4.4879 |
| logSw: | -4.1353 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.647 |
| InChI Key: | UALNQSICCKTWCH-UHFFFAOYSA-N |