4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]benzamide
Formula:C19H14N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(3-bromophenyl)methoxy]-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C19H14N3O4BrS |
| Smiles | [O-][N+](c1csc(/C=N\NC(c(cc2)ccc2OCc2cccc(Br)c2)=O)c1)=O |
| InChI | InChI=1S/C19H14BrN3O4S/c20-15-3-1-2-13(8-15)11-27-17-6-4-14(5-7-17)19(24)22-21-10-18-9-16(12-28-18)23(25)26/h1-10,12H,11H2,(H,22,24) |
| InChIK | VPTUIDPJBDATLM-UHFFFAOYSA-N |
| TotalMolweight | 460.307 |
| Molweight | 460.307 |
| MonoisotopicMass | 458.988838 |
| CLogP | 4.2199 |
| CLogS | -6.366 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.75 |
| Relative PSA | 0.31349 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -1.6483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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