3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V020-8300 |
| Compound Name: | 3-{[3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 437.4 |
| Molecular Formula: | C22 H17 F2 N5 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8551 |
| logD: | 1.8551 |
| logSw: | -2.0896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.622 |
| InChI Key: | RFSGNHNUVOSPFO-UHFFFAOYSA-N |