1-butyl-7-[(3-methylphenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-butyl-7-[(3-methylphenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
1-butyl-7-[(3-methylphenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V025-0989 |
| Compound Name: | 1-butyl-7-[(3-methylphenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C23 H24 N4 O2 |
| Smiles: | CCCCN1C(c2c(ncn2Cc2cccc(C)c2)N(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1944 |
| logD: | 4.1944 |
| logSw: | -4.1015 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | PVIHIVRFKFYQBY-UHFFFAOYSA-N |