4-benzyl-2-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V011-4190 |
| Compound Name: | 4-benzyl-2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 454.91 |
| Molecular Formula: | C23 H23 Cl N4 O4 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccccc2)C(C(C(NCC2CCCO2)=O)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4605 |
| logD: | 3.4596 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | NSJPLXRITJNSQD-GOSISDBHSA-N |