7-[(3-nitrophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-nitrophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-nitrophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V024-1474 |
Compound Name: | 7-[(3-nitrophenyl)methyl]-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 525.56 |
Molecular Formula: | C29 H27 N5 O5 |
Salt: | not_available |
Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOc2ccccc2)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2317 |
logD: | 5.2317 |
logSw: | -5.0919 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 83.052 |
InChI Key: | GUXGJZFCINYXAA-UHFFFAOYSA-N |