6-(2H-1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2H-1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | 8019-3535 |
Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
Molecular Weight: | 393.37 |
Molecular Formula: | C21 H16 F N3 O4 |
Smiles: | CN1C(c2c(cn(c3ccc4c(c3)OCO4)c2c2ccc(cc2)F)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4834 |
logD: | 3.4834 |
logSw: | -3.8675 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.903 |
InChI Key: | RLNGEUISOIRXBC-UHFFFAOYSA-N |