2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
Formula:C19H19N3O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is a drug-like molecule.
| MolName | 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone |
| MolecularFormula | C19H19N3O5F2 |
| Smiles | O=C(CO/N=C\c(cccc1)c1OC(F)F)N(CC1)CCN1C(c1ccco1)=O |
| InChI | InChI=1S/C19H19F2N3O5/c20-19(21)29-15-5-2-1-4-14(15)12-22-28-13-17(25)23-7-9-24(10-8-23)18(26)16-6-3-11-27-16/h1-6,11-12,19H,7-10,13H2 |
| InChIK | KHGNTZWMCRJHHM-UHFFFAOYSA-N |
| TotalMolweight | 407.372 |
| Molweight | 407.372 |
| MonoisotopicMass | 407.129278 |
| CLogP | 2.7048 |
| CLogS | -3.049 |
| H Acceptors | 8 |
| TotalSurfaceArea | 304.07 |
| Relative PSA | 0.25915 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 4.6447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone | 2 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
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