4-benzyl-2-(4-chlorophenyl)-3,5-dioxo-N-[(oxolan-2-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-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-2-(4-chlorophenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V011-9562 |
| Compound Name: | 4-benzyl-2-(4-chlorophenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C22 H21 Cl N4 O4 |
| Smiles: | C1CC(CNC(C2C(N(Cc3ccccc3)C(N(c3ccc(cc3)[Cl])N=2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7956 |
| logD: | 2.7947 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | VSCKYGLSIZPLCK-GOSISDBHSA-N |