N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
Formula:C26H18N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C26H18N5O3F3 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(Cc(ccc(C(F)(F)F)c3)c3[N+]([O-])=O)=O)c2)cccc1 |
| InChI | InChI=1S/C26H18F3N5O3/c27-26(28,29)21-10-9-17(24(12-21)34(36)37)11-25(35)32-31-14-20-16-33(23-8-4-3-7-22(20)23)15-19-6-2-1-5-18(19)13-30/h1-10,12,14,16H,11,15H2,(H,32,35) |
| InChIK | XKIIYLBJKGTGQX-UHFFFAOYSA-N |
| TotalMolweight | 505.455 |
| Molweight | 505.455 |
| MonoisotopicMass | 505.136174 |
| CLogP | 4.4917 |
| CLogS | -6.675 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 372.91 |
| Relative PSA | 0.23292 |
| PolarSurfaceArea | 116 |
| Druglikeness | -10.508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
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