4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V024-1729 |
| Compound Name: | 4-{[3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C22 H16 F N5 O2 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5183 |
| logD: | 2.5183 |
| logSw: | -2.4893 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | XBEULTPYNRQLHW-UHFFFAOYSA-N |