methyl 4-{[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino}benzoate
methyl 4-{[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F216-0169 |
| Compound Name: | methyl 4-{[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino}benzoate |
| Molecular Weight: | 452.85 |
| Molecular Formula: | C22 H17 Cl N4 O5 |
| Smiles: | Cn1cc(C(Nc2ccc(cc2)C(=O)OC)=O)c2c1C(N(C(N2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7054 |
| logD: | 2.6394 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.579 |
| InChI Key: | MZZJODDTSNJSIA-UHFFFAOYSA-N |