3-(4-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5367 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 501.93 |
| Molecular Formula: | C26 H20 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C(CN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5638 |
| logD: | 4.5638 |
| logSw: | -4.8471 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.634 |
| InChI Key: | PHUHDXWOBGJXDY-UHFFFAOYSA-N |