(2S)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C19H15N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2S)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C19H15N2O3Br |
| Smiles | O[C@H](C(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O)c1ccccc1 |
| InChI | InChI=1S/C19H15BrN2O3/c20-15-8-6-13(7-9-15)17-11-10-16(25-17)12-21-22-19(24)18(23)14-4-2-1-3-5-14/h1-12,18,23H,(H,22,24)/t18-/m0/s1 |
| InChIK | JZMUVMDZSZRPCS-SFHVURJKSA-N |
| TotalMolweight | 399.243 |
| Molweight | 399.243 |
| MonoisotopicMass | 398.026604 |
| CLogP | 3.7937 |
| CLogS | -5.432 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.92 |
| Relative PSA | 0.2308 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 5.3783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2S)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
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