2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V012-0600 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C24 H25 Cl N4 O4 |
| Smiles: | Cc1cccc(CN2C(C(C(NCC3CCCO3)=O)=NN(C2=O)c2ccc(C)c(c2)[Cl])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1071 |
| logD: | 4.1062 |
| logSw: | -4.364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | FIRGYFXKUIKIKM-LJQANCHMSA-N |