methyl 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]amino}benzoate
methyl 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E200-0344 |
| Compound Name: | methyl 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | Cc1ccc(cc1C)N1C(C(=CNC1=O)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3849 |
| logD: | 2.8548 |
| logSw: | -3.6881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.023 |
| InChI Key: | GAABVSVDGUWNHQ-UHFFFAOYSA-N |