4-benzyl-2-(4-chlorophenyl)-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-(4-chlorophenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-2-(4-chlorophenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V008-0723 |
| Compound Name: | 4-benzyl-2-(4-chlorophenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 447.88 |
| Molecular Formula: | C23 H18 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | C(c1cccnc1)NC(C1C(N(Cc2ccccc2)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0173 |
| logD: | 3.0148 |
| logSw: | -3.5204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | QMEPRJCCYXPMJH-UHFFFAOYSA-N |