7-[(4-methylphenyl)methyl]-3-phenyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-methylphenyl)methyl]-3-phenyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-methylphenyl)methyl]-3-phenyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8248 |
| Compound Name: | 7-[(4-methylphenyl)methyl]-3-phenyl-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cn2cnc3c2C(N(CC=C)C(N3c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1366 |
| logD: | 3.1366 |
| logSw: | -3.0365 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | IRJKIYPRCDXGAF-UHFFFAOYSA-N |