1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0469 |
| Compound Name: | 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C22 H21 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CCOC)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.517 |
| logD: | 2.517 |
| logSw: | -2.5113 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.948 |
| InChI Key: | ZFUVOPDEFYECJJ-UHFFFAOYSA-N |