5-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
Chemical Structure Depiction of
5-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
5-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
Compound characteristics
| Compound ID: | 8017-4992 |
| Compound Name: | 5-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C19 H20 F N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCCCCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.201 |
| logD: | 3.201 |
| logSw: | -3.2703 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.778 |
| InChI Key: | WVDCLQQIFYDJDR-UHFFFAOYSA-N |