methyl 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
methyl 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
methyl 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: | S348-2095 |
| Compound Name: | methyl 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: | 464.45 |
| Molecular Formula: | C24 H21 F N4 O5 |
| Smiles: | Cc1cc2c(C(N(C(N2CC(Nc2ccccc2C(=O)OC)=O)=O)c2ccc(cc2)F)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.3641 |
| logD: | 2.3534 |
| logSw: | -3.1454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.925 |
| InChI Key: | JXLBDAAPFBHCAT-UHFFFAOYSA-N |