1-(3-methylbutyl)-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(3-methylbutyl)-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-(3-methylbutyl)-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7750 |
| Compound Name: | 1-(3-methylbutyl)-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C25 H28 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(C)cc2)N(C1=O)c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8359 |
| logD: | 4.8359 |
| logSw: | -4.4323 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | AMSYMJWHPUNSHW-UHFFFAOYSA-N |