3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-(1-phenylethyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5388 |
| Compound Name: | 3-(3-chlorophenyl)-7-(1-phenylethyl)-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: | CC(c1ccccc1)n1cnc2c1C(N(CC=C)C(N2c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2884 |
| logD: | 4.2884 |
| logSw: | -4.4767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.936 |
| InChI Key: | PUQVCHPWRIMCIA-HNNXBMFYSA-N |