ethyl 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
ethyl 4-{[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino}benzoate
ethyl 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: | F216-0168 |
| Compound Name: | ethyl 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: | 466.88 |
| Molecular Formula: | C23 H19 Cl N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cn(C)c2C(N(C(Nc12)=O)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.216 |
| logD: | 3.1501 |
| logSw: | -3.8434 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.159 |
| InChI Key: | RJITWCLFFWAXNP-UHFFFAOYSA-N |