3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate
Chemical Structure Depiction of
3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate
3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 7757-0208 |
| Compound Name: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]propyl 2-fluorobenzoate |
| Molecular Weight: | 375.36 |
| Molecular Formula: | C17 H18 F N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCCOC(c3ccccc3F)=O)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0933 |
| logD: | 2.0922 |
| logSw: | -2.9227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.333 |
| InChI Key: | WAZNSZASSLWKCR-UHFFFAOYSA-N |