N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C29H21N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C29H21N4O2F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C29H21F3N4O2/c30-29(31,32)21-15-16-27(38)35(18-21)19-26(37)34-33-17-24-23-13-7-8-14-25(23)36(22-11-5-2-6-12-22)28(24)20-9-3-1-4-10-20/h1-18H,19H2,(H,34,37) |
| InChIK | QKZIXPFAAPGUQI-UHFFFAOYSA-N |
| TotalMolweight | 514.506 |
| Molweight | 514.506 |
| MonoisotopicMass | 514.16166 |
| CLogP | 5.2517 |
| CLogS | -9.064 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.53 |
| Relative PSA | 0.15669 |
| PolarSurfaceArea | 66.7 |
| Druglikeness | -1.6432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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