4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
Formula:C24H19N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C24H19N2O3Br |
| Smiles | C#CCOc1c(/C=N\NC(c(cc2)ccc2OCc2cccc(Br)c2)=O)cccc1 |
| InChI | InChI=1S/C24H19BrN2O3/c1-2-14-29-23-9-4-3-7-20(23)16-26-27-24(28)19-10-12-22(13-11-19)30-17-18-6-5-8-21(25)15-18/h1,3-13,15-16H,14,17H2,(H,27,28) |
| InChIK | XBFYQYHQTPWVKC-UHFFFAOYSA-N |
| TotalMolweight | 463.33 |
| Molweight | 463.33 |
| MonoisotopicMass | 462.057904 |
| CLogP | 5.2321 |
| CLogS | -6.538 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.71 |
| Relative PSA | 0.16634 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.2497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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