7-[(3,4-dichlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-7643 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H18 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 4.58 |
| logSw: | -4.5499 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | YIJYGXIFTOFVIZ-UHFFFAOYSA-N |