6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-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-(2-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | 8019-5713 |
Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
Molecular Weight: | 409.83 |
Molecular Formula: | C21 H16 Cl N3 O4 |
Smiles: | CN1C(c2c(cn(c3ccc4c(c3)OCO4)c2c2ccccc2[Cl])N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9448 |
logD: | 3.9448 |
logSw: | -4.4939 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.903 |
InChI Key: | LSWUOPVYJHXLGZ-UHFFFAOYSA-N |