1,3-dimethyl-5,6-bis(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5,6-bis(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5,6-bis(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0361 |
| Compound Name: | 1,3-dimethyl-5,6-bis(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 421.37 |
| Molecular Formula: | C20 H15 N5 O6 |
| Smiles: | CN1C(c2c(cn(c3cccc(c3)[N+]([O-])=O)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4061 |
| logD: | 3.4061 |
| logSw: | -3.8482 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.55 |
| InChI Key: | LYFRBQNKRJXAJX-UHFFFAOYSA-N |