[(E)-(2-oxo-1,2-diphenylethylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C22H15N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(2-oxo-1,2-diphenylethylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C22H15N2O3F3 |
| Smiles | O=C(/C(/c1ccccc1)=N/OC(Nc1cccc(C(F)(F)F)c1)=O)c1ccccc1 |
| InChI | InChI=1S/C22H15F3N2O3/c23-22(24,25)17-12-7-13-18(14-17)26-21(29)30-27-19(15-8-3-1-4-9-15)20(28)16-10-5-2-6-11-16/h1-14H,(H,26,29) |
| InChIK | FVTKMEJYLYCBHZ-UHFFFAOYSA-N |
| TotalMolweight | 412.366 |
| Molweight | 412.366 |
| MonoisotopicMass | 412.103477 |
| CLogP | 5.2518 |
| CLogS | -6.741 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.17 |
| Relative PSA | 0.19542 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -11.627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(E)-(2-oxo-1,2-diphenylethylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off