3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(3-fluorophenyl)propanamide
Chemical Structure Depiction of
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(3-fluorophenyl)propanamide
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(3-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | Y031-7065 |
| Compound Name: | 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(3-fluorophenyl)propanamide |
| Molecular Weight: | 345.33 |
| Molecular Formula: | C16 H16 F N5 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(Nc2cccc(c2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1686 |
| logD: | 1.1682 |
| logSw: | -2.086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.088 |
| InChI Key: | KNUZWBNWWGKTJS-UHFFFAOYSA-N |