4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V030-4934 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-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 |
| Smiles: | C(c1cccnc1)NC(C1C(N(Cc2cccc(c2)[Cl])C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9564 |
| logD: | 2.954 |
| logSw: | -3.5837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | MMWVHKJRCLRGON-UHFFFAOYSA-N |