2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)acetohydrazide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)acetohydrazide
Compound characteristics
| Compound ID: | 8015-2227 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)acetohydrazide |
| Molecular Weight: | 490.4 |
| Molecular Formula: | C21 H17 F3 N6 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N/N=C/c2ccc(c3ccc(cc3)OC(F)(F)F)o2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3008 |
| logD: | 3.3007 |
| logSw: | -3.5631 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.841 |
| InChI Key: | PDSRIRUVLZJOKY-UHFFFAOYSA-N |