3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-5090 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1Cn1cnc2c1C(N(CC=C)C(N2c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5461 |
| logD: | 3.5461 |
| logSw: | -3.689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.155 |
| InChI Key: | FFKSPIOAJYPSPW-UHFFFAOYSA-N |