N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-(phenylsulfanylmethyl)benzamide
Formula:C29H24N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-(phenylsulfanylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-(phenylsulfanylmethyl)benzamide |
| MolecularFormula | C29H24N3O3FS |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccc(CSc3ccccc3)cc2)=O)cc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C29H24FN3O3S/c30-24-12-14-25(15-13-24)32-28(34)19-36-26-16-8-21(9-17-26)18-31-33-29(35)23-10-6-22(7-11-23)20-37-27-4-2-1-3-5-27/h1-18H,19-20H2,(H,32,34)(H,33,35) |
| InChIK | VHXRSUXBPMCQJJ-UHFFFAOYSA-N |
| TotalMolweight | 513.592 |
| Molweight | 513.592 |
| MonoisotopicMass | 513.15224 |
| CLogP | 5.9862 |
| CLogS | -7.756 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 397.08 |
| Relative PSA | 0.22162 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 3.6485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72973 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-(phenylsulfanylmethyl)benzamide | 2 - N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-(phenylsulfanylmethyl)benzamide
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