3-hydroxy-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C28H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C28H25N3O4 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)ccc1OCC(NCCc1ccccc1)=O)=O |
| InChI | InChI=1S/C28H25N3O4/c32-26-17-23-9-5-4-8-22(23)16-25(26)28(34)31-30-18-21-10-12-24(13-11-21)35-19-27(33)29-15-14-20-6-2-1-3-7-20/h1-13,16-18,32H,14-15,19H2,(H,29,33)(H,31,34) |
| InChIK | NIWHFFIJEXEMGH-UHFFFAOYSA-N |
| TotalMolweight | 467.524 |
| Molweight | 467.524 |
| MonoisotopicMass | 467.184507 |
| CLogP | 4.9122 |
| CLogS | -6.251 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 368.19 |
| Relative PSA | 0.22708 |
| PolarSurfaceArea | 100.02 |
| Druglikeness | 5.0767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-hydroxy-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide | 2 - 3-hydroxy-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
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