N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Formula:C24H17N4O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C24H17N4O4F3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(Cc(ccc(C(F)(F)F)c3)c3[N+]([O-])=O)=O)cc2)cccc1 |
| InChI | InChI=1S/C24H17F3N4O4/c25-24(26,27)20-8-7-17(22(12-20)31(33)34)11-23(32)30-29-14-16-5-9-21(10-6-16)35-15-19-4-2-1-3-18(19)13-28/h1-10,12,14H,11,15H2,(H,30,32) |
| InChIK | UQGFBFKHYDXQPN-UHFFFAOYSA-N |
| TotalMolweight | 482.417 |
| Molweight | 482.417 |
| MonoisotopicMass | 482.12019 |
| CLogP | 4.3101 |
| CLogS | -7.038 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.11 |
| Relative PSA | 0.25059 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -12.559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
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