7-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-6272 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.87 |
| Molecular Formula: | C22 H19 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9113 |
| logD: | 3.9113 |
| logSw: | -3.9888 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | STGUELBJCFZPPO-UHFFFAOYSA-N |