methyl 4-{[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]amino}benzoate
methyl 4-{[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G674-0284 |
| Compound Name: | methyl 4-{[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(C(Nc2ccc(cc2)C(=O)OC)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0499 |
| logD: | 2.0472 |
| logSw: | -3.5335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.547 |
| InChI Key: | SABLTCHHPBFLMD-UHFFFAOYSA-N |