methyl 4-[(5-methyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-methyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)amino]benzoate
methyl 4-[(5-methyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F216-0055 |
| Compound Name: | methyl 4-[(5-methyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)amino]benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H18 N4 O5 |
| Smiles: | Cn1cc(C(Nc2ccc(cc2)C(=O)OC)=O)c2c1C(N(C(N2)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9891 |
| logD: | 1.9231 |
| logSw: | -2.6454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.579 |
| InChI Key: | PNMBRJWTSCTPLO-UHFFFAOYSA-N |