[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | 8018-9496 |
| Compound Name: | [(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C17 H14 F3 N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)SCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2065 |
| logD: | 3.2065 |
| logSw: | -3.3301 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.778 |
| InChI Key: | UIKFXKHJNBRAND-UHFFFAOYSA-N |