4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-3985 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 475.93 |
| Molecular Formula: | C25 H22 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCc2ccccn2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.412 |
| logD: | 4.3898 |
| logSw: | -4.5062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.201 |
| InChI Key: | VTPXTNHPKSQZHR-UHFFFAOYSA-N |