(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
Formula:C22H17N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide |
| MolecularFormula | C22H17N2O2F3 |
| Smiles | O=C(/C=C/C1=Cc(cccc2CC3)c2N3C1=O)NCc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C22H17F3N2O2/c23-22(24,25)18-6-1-3-14(11-18)13-26-19(28)8-7-17-12-16-5-2-4-15-9-10-27(20(15)16)21(17)29/h1-8,11-12H,9-10,13H2,(H,26,28) |
| InChIK | RPJXCJDSWADELU-UHFFFAOYSA-N |
| TotalMolweight | 398.383 |
| Molweight | 398.383 |
| MonoisotopicMass | 398.124212 |
| CLogP | 3.592 |
| CLogS | -4.741 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.23 |
| Relative PSA | 0.14406 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -3.75 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide | 2 - (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
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