4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V026-4714 |
| Compound Name: | 4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2ccccc2)C(C(C(NCc2cccnc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4387 |
| logD: | 3.4362 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | IMJRHGSYNUFTLL-UHFFFAOYSA-N |