1-benzyl-3-(3-methylphenyl)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-3-(3-methylphenyl)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-3-(3-methylphenyl)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-2989 |
| Compound Name: | 1-benzyl-3-(3-methylphenyl)-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C27 H24 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cn2cnc3c2C(N(Cc2ccccc2)C(N3c2cccc(C)c2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0978 |
| logD: | 5.0978 |
| logSw: | -4.9416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.275 |
| InChI Key: | IVIIEVXJAFHKGB-UHFFFAOYSA-N |