3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7016 |
| Compound Name: | 3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 460.84 |
| Molecular Formula: | C22 H16 Cl F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2cccc(c2)C(F)(F)F)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2311 |
| logD: | 4.2311 |
| logSw: | -4.5054 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | AQTWJTLROUETRJ-UHFFFAOYSA-N |