2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)ethanone
Formula:C20H21N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)ethanone is a drug-like molecule.
| MolName | 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)ethanone |
| MolecularFormula | C20H21N3O3F2 |
| Smiles | O=C(CO/N=C\c(cccc1)c1OC(F)F)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C20H21F2N3O3/c21-20(22)28-18-9-5-4-6-16(18)14-23-27-15-19(26)25-12-10-24(11-13-25)17-7-2-1-3-8-17/h1-9,14,20H,10-13,15H2 |
| InChIK | KPEIYLKHHGUVAB-UHFFFAOYSA-N |
| TotalMolweight | 389.401 |
| Molweight | 389.401 |
| MonoisotopicMass | 389.155098 |
| CLogP | 3.5108 |
| CLogS | -3.76 |
| H Acceptors | 6 |
| TotalSurfaceArea | 296.63 |
| Relative PSA | 0.17412 |
| PolarSurfaceArea | 54.37 |
| Druglikeness | 4.6281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)ethanone | 2 - 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)ethanone
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