3-(4-methoxyphenyl)-1-(2-methylpropyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-(2-methylpropyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(4-methoxyphenyl)-1-(2-methylpropyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0566 |
| Compound Name: | 3-(4-methoxyphenyl)-1-(2-methylpropyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C23 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4348 |
| logD: | 3.4348 |
| logSw: | -3.7418 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.471 |
| InChI Key: | ZYWUXDXKBZRUSE-UHFFFAOYSA-N |