5-(2-chlorophenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(2-chlorophenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(2-chlorophenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0287 |
| Compound Name: | 5-(2-chlorophenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 439.86 |
| Molecular Formula: | C21 H18 Cl N5 O4 |
| Smiles: | CNc1ccc(cc1n1cc2c(C(N(C)C(N2C)=O)=O)c1c1ccccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7679 |
| logD: | 3.7679 |
| logSw: | -4.3697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.827 |
| InChI Key: | SPRYJJOITXMXHM-UHFFFAOYSA-N |