5-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8017-2229 |
| Compound Name: | 5-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-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(c3ccc4c(c3)OCCO4)c2c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1885 |
| logD: | 3.1885 |
| logSw: | -3.8921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.61 |
| InChI Key: | HJPCBJLJYKLHNN-UHFFFAOYSA-N |