2-[(3-bromophenyl)methoxy]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]benzamide
Formula:C19H14N2O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methoxy]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methoxy]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C19H14N2O2Br2S |
| Smiles | O=C(c(cccc1)c1OCc1cccc(Br)c1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C19H14Br2N2O2S/c20-14-5-3-4-13(10-14)12-25-17-7-2-1-6-16(17)19(24)23-22-11-15-8-9-18(21)26-15/h1-11H,12H2,(H,23,24) |
| InChIK | ULGJYBSTTSNTMZ-UHFFFAOYSA-N |
| TotalMolweight | 494.206 |
| Molweight | 494.206 |
| MonoisotopicMass | 491.91427 |
| CLogP | 6.0714 |
| CLogS | -6.757 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.71 |
| Relative PSA | 0.21853 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 1.9655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-[(3-bromophenyl)methoxy]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]benzamide | 2 - 2-[(3-bromophenyl)methoxy]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]benzamide
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