1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | D077-0375 |
Compound Name: | 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
Molecular Weight: | 450.41 |
Molecular Formula: | C21 H18 N6 O6 |
Smiles: | CNc1ccc(cc1n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.3098 |
logD: | 3.3098 |
logSw: | -3.6898 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 109.208 |
InChI Key: | AIABZZZGAXOSPB-UHFFFAOYSA-N |