4-(benzylsulfanylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide
Formula:C28H24N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzylsulfanylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(benzylsulfanylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C28H24N2O2S |
| Smiles | O=C(c1ccc(CSCc2ccccc2)cc1)N/N=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C28H24N2O2S/c31-28(25-15-11-24(12-16-25)21-33-20-23-7-3-1-4-8-23)30-29-19-22-13-17-27(18-14-22)32-26-9-5-2-6-10-26/h1-19H,20-21H2,(H,30,31) |
| InChIK | MIJTUMLZHCJUNL-UHFFFAOYSA-N |
| TotalMolweight | 452.577 |
| Molweight | 452.577 |
| MonoisotopicMass | 452.155848 |
| CLogP | 6.5354 |
| CLogS | -8.691 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 361.52 |
| Relative PSA | 0.17565 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.4886 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 4-(benzylsulfanylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide | 2 - 4-(benzylsulfanylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide
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