4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V026-0542 |
| Compound Name: | 4-benzyl-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 455.52 |
| Molecular Formula: | C26 H25 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2)C(C(C(NCc2ccncc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6319 |
| logD: | 3.6233 |
| logSw: | -3.6404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.086 |
| InChI Key: | MQVKTFVAXKBDRE-UHFFFAOYSA-N |