2-[(2-bromobenzoyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C20H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromobenzoyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-[(2-bromobenzoyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C20H15N4O2Br |
| Smiles | O=C(c(cccc1)c1Br)Nc(cccc1)c1C(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C20H15BrN4O2/c21-17-9-3-1-7-15(17)19(26)24-18-10-4-2-8-16(18)20(27)25-23-13-14-6-5-11-22-12-14/h1-13H,(H,24,26)(H,25,27) |
| InChIK | PLXVVQSICYWAHB-UHFFFAOYSA-N |
| TotalMolweight | 423.269 |
| Molweight | 423.269 |
| MonoisotopicMass | 422.037837 |
| CLogP | 4.0734 |
| CLogS | -5.272 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.35 |
| Relative PSA | 0.24367 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.1092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(2-bromobenzoyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 2-[(2-bromobenzoyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
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