1-cyclopropyl-3-(3-methylphenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopropyl-3-(3-methylphenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-cyclopropyl-3-(3-methylphenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8454 |
| Compound Name: | 1-cyclopropyl-3-(3-methylphenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)N1C(N(C2CC2)C(c2c1ncn2Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2415 |
| logD: | 3.2415 |
| logSw: | -3.2624 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.209 |
| InChI Key: | HGTDYVSLYYPRMK-UHFFFAOYSA-N |