1-cyclohexyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclohexyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-cyclohexyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0488 |
| Compound Name: | 1-cyclohexyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(C2CCCCC2)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2728 |
| logD: | 4.2728 |
| logSw: | -4.4405 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.577 |
| InChI Key: | NRUBCSYLBFRWOY-UHFFFAOYSA-N |