N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C24H23N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C24H23N4O3F3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-3-4-17(12-19)13-22(32)29-28-14-18-15-31(21-7-2-1-6-20(18)21)16-23(33)30-8-10-34-11-9-30/h1-7,12,14-15H,8-11,13,16H2,(H,29,32) |
| InChIK | XKYCAXLUODMMQJ-UHFFFAOYSA-N |
| TotalMolweight | 472.466 |
| Molweight | 472.466 |
| MonoisotopicMass | 472.172225 |
| CLogP | 3.3891 |
| CLogS | -3.829 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 347.36 |
| Relative PSA | 0.19999 |
| PolarSurfaceArea | 75.93 |
| Druglikeness | -0.93878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off