N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H20N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H20N3O2F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCCCCC2)o1 |
| InChI | InChI=1S/C19H20F3N3O2/c20-19(21,22)15-7-5-6-14(12-15)18(26)24-23-13-16-8-9-17(27-16)25-10-3-1-2-4-11-25/h5-9,12-13H,1-4,10-11H2,(H,24,26) |
| InChIK | PHZMMJSUZNFLQR-UHFFFAOYSA-N |
| TotalMolweight | 379.381 |
| Molweight | 379.381 |
| MonoisotopicMass | 379.150761 |
| CLogP | 4.765 |
| CLogS | -5.968 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.5 |
| Relative PSA | 0.18799 |
| PolarSurfaceArea | 57.84 |
| Druglikeness | -3.4485 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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