7-[(4-nitrophenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-nitrophenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-nitrophenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7788 |
| Compound Name: | 7-[(4-nitrophenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C29 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCc2ccccc2)C(c2c1ncn2Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3708 |
| logD: | 5.3708 |
| logSw: | -5.4122 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.634 |
| InChI Key: | ACIYIRVNCVDDQG-UHFFFAOYSA-N |