6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-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)methyl]-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8019-6245 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C22 H18 Cl N3 O4 |
| Smiles: | CN1C(c2c(cn(Cc3ccc4c(c3)OCO4)c2c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8986 |
| logD: | 3.8986 |
| logSw: | -4.7085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.444 |
| InChI Key: | KHJGSGYTRDWNRQ-UHFFFAOYSA-N |