3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V018-6846 |
| Compound Name: | 3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C23 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(Cn1cnc2c1C(N(CC=C)C(N2c1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1202 |
| logD: | 3.1202 |
| logSw: | -3.421 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.014 |
| InChI Key: | JCNWFPOUHUXUGI-UHFFFAOYSA-N |