3-(2-chlorophenyl)-1-ethyl-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-1-ethyl-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-1-ethyl-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6622 |
| Compound Name: | 3-(2-chlorophenyl)-1-ethyl-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 425.83 |
| Molecular Formula: | C20 H16 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0304 |
| logD: | 3.0304 |
| logSw: | -3.3708 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.351 |
| InChI Key: | ROYLEYJSFZTQMQ-UHFFFAOYSA-N |