4-(phenylsulfanylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C22H17N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(phenylsulfanylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(phenylsulfanylmethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H17N2OF3S |
| Smiles | O=C(c1ccc(CSc2ccccc2)cc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C22H17F3N2OS/c23-22(24,25)20-9-5-4-6-18(20)14-26-27-21(28)17-12-10-16(11-13-17)15-29-19-7-2-1-3-8-19/h1-14H,15H2,(H,27,28) |
| InChIK | ZGDFPSIWPMMNFY-UHFFFAOYSA-N |
| TotalMolweight | 414.45 |
| Molweight | 414.45 |
| MonoisotopicMass | 414.101367 |
| CLogP | 6.0113 |
| CLogS | -6.928 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.46 |
| Relative PSA | 0.17401 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -2.4775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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