4-(morpholin-4-ylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C20H20N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(morpholin-4-ylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(morpholin-4-ylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C20H20N3O2F3 |
| Smiles | O=C(c1ccc(CN2CCOCC2)cc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C20H20F3N3O2/c21-20(22,23)18-4-2-1-3-17(18)13-24-25-19(27)16-7-5-15(6-8-16)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,25,27) |
| InChIK | SPJWTQCZUCVRFK-UHFFFAOYSA-N |
| TotalMolweight | 391.392 |
| Molweight | 391.392 |
| MonoisotopicMass | 391.150761 |
| CLogP | 3.6418 |
| CLogS | -4.08 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.05 |
| Relative PSA | 0.1697 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | -1.87 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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