5-(4-tert-butylphenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(4-tert-butylphenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0137 |
| Compound Name: | 5-(4-tert-butylphenyl)-1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1c1cc(ccc1NC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0718 |
| logD: | 5.0718 |
| logSw: | -4.7854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.827 |
| InChI Key: | ONRLTWUURDPWAM-UHFFFAOYSA-N |