ethyl 2-{2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate
ethyl 2-{2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | S348-2118 |
| Compound Name: | ethyl 2-{2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C25 H23 F N4 O5 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c1cc(C)n2C)=O)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9077 |
| logD: | 2.897 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.505 |
| InChI Key: | RXJJPEZFZKOKJA-UHFFFAOYSA-N |