N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-phenylmethoxybenzamide
Formula:C19H15N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-phenylmethoxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-phenylmethoxybenzamide |
| MolecularFormula | C19H15N2O2BrS |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C19H15BrN2O2S/c20-18-11-10-15(25-18)12-21-22-19(23)16-8-4-5-9-17(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23) |
| InChIK | BONLZPIKBNFYLT-UHFFFAOYSA-N |
| TotalMolweight | 415.31 |
| Molweight | 415.31 |
| MonoisotopicMass | 414.003759 |
| CLogP | 5.3462 |
| CLogS | -5.923 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.08 |
| Relative PSA | 0.23281 |
| 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 | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-phenylmethoxybenzamide | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-phenylmethoxybenzamide
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