N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
Compound characteristics
| Compound ID: | S348-2171 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C23 H19 F N4 O5 |
| Smiles: | Cc1cc2c(C(N(C(N2CC(Nc2ccc3c(c2)OCO3)=O)=O)c2ccc(cc2)F)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.4726 |
| logD: | 2.4726 |
| logSw: | -3.0212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.564 |
| InChI Key: | OLYSYVDCEUTKMD-UHFFFAOYSA-N |