4-(benzylsulfanylmethyl)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
Formula:C24H21N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-(benzylsulfanylmethyl)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(benzylsulfanylmethyl)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C24H21N3O2S |
| Smiles | N#CCOc1ccc(/C=N\NC(c2ccc(CSCc3ccccc3)cc2)=O)cc1 |
| InChI | InChI=1S/C24H21N3O2S/c25-14-15-29-23-12-8-19(9-13-23)16-26-27-24(28)22-10-6-21(7-11-22)18-30-17-20-4-2-1-3-5-20/h1-13,16H,15,17-18H2,(H,27,28) |
| InChIK | CUDHGRQRGMHPTC-UHFFFAOYSA-N |
| TotalMolweight | 415.516 |
| Molweight | 415.516 |
| MonoisotopicMass | 415.135447 |
| CLogP | 4.7217 |
| CLogS | -6.86 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.23 |
| Relative PSA | 0.22851 |
| PolarSurfaceArea | 99.78 |
| Druglikeness | -0.030269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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