1-butyl-7-[(3-nitrophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-butyl-7-[(3-nitrophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
1-butyl-7-[(3-nitrophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8527 |
| Compound Name: | 1-butyl-7-[(3-nitrophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCCN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.41 |
| logD: | 3.41 |
| logSw: | -3.6483 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | CRCBZTINQHGWBC-UHFFFAOYSA-N |