4-bromo-N-[(E)-[(2S)-3-oxo-2-phenylinden-1-ylidene]amino]benzamide
Formula:C22H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-[(2S)-3-oxo-2-phenylinden-1-ylidene]amino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(E)-[(2S)-3-oxo-2-phenylinden-1-ylidene]amino]benzamide |
| MolecularFormula | C22H15N2O2Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C(\[C@@H]1c2ccccc2)/c(cccc2)c2C1=O |
| InChI | InChI=1S/C22H15BrN2O2/c23-16-12-10-15(11-13-16)22(27)25-24-20-17-8-4-5-9-18(17)21(26)19(20)14-6-2-1-3-7-14/h1-13,19H,(H,25,27)/t19-/m0/s1 |
| InChIK | XVGWNGXAQDOBBW-IBGZPJMESA-N |
| TotalMolweight | 419.277 |
| Molweight | 419.277 |
| MonoisotopicMass | 418.031689 |
| CLogP | 5.4511 |
| CLogS | -6.648 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.34 |
| Relative PSA | 0.17497 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 2.106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - 4-bromo-N-[(E)-[(2S)-3-oxo-2-phenylinden-1-ylidene]amino]benzamide | 2 - 4-bromo-N-[(E)-[(2S)-3-oxo-2-phenylinden-1-ylidene]amino]benzamide
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