6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0406 |
| Compound Name: | 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | CN1C(c2c(cn(c3ccc4c(c3)OCCO4)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6261 |
| logD: | 2.6261 |
| logSw: | -2.9197 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.992 |
| InChI Key: | PAMAAAUBLIQQCL-UHFFFAOYSA-N |