(Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanimine
Formula:C26H25N4O2Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanimine |
| MolecularFormula | C26H25N4O2Cl2F3 |
| Smiles | FC(c1cc(Cl)c(N2CCN(CCOc3c(/C=N\OCc(cc4)ccc4Cl)cccc3)CC2)nc1)(F)F |
| InChI | InChI=1S/C26H25Cl2F3N4O2/c27-22-7-5-19(6-8-22)18-37-33-16-20-3-1-2-4-24(20)36-14-13-34-9-11-35(12-10-34)25-23(28)15-21(17-32-25)26(29,30)31/h1-8,15-17H,9-14,18H2 |
| InChIK | ZLAMTJAQVVPIMV-UHFFFAOYSA-N |
| TotalMolweight | 553.411 |
| Molweight | 553.411 |
| MonoisotopicMass | 552.130664 |
| CLogP | 6.4499 |
| CLogS | -6.477 |
| H Acceptors | 6 |
| TotalSurfaceArea | 400.02 |
| Relative PSA | 0.12394 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -0.74573 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64865 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanimine | 2 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanimine
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