6-(4-chlorophenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(4-chlorophenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(4-chlorophenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0387 |
| Compound Name: | 6-(4-chlorophenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C20 H15 Cl N4 O4 |
| Smiles: | CN1C(c2c(cn(c3ccc(cc3)[Cl])c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1563 |
| logD: | 4.1563 |
| logSw: | -4.8659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.169 |
| InChI Key: | WFFISKWSPQUISJ-UHFFFAOYSA-N |