2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 8014-2864 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide |
| Molecular Weight: | 424.39 |
| Molecular Formula: | C19 H17 F N8 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N/N=C/c2c[nH]nc2c2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9453 |
| logD: | 0.945 |
| logSw: | -2.1948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.524 |
| InChI Key: | GEMRQMMWCHIEKF-UHFFFAOYSA-N |