N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
Formula:C27H23N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide |
| MolecularFormula | C27H23N3O3 |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C27H23N3O3/c31-26(18-28-27(32)25-12-6-10-22-9-4-5-11-24(22)25)30-29-17-20-13-15-23(16-14-20)33-19-21-7-2-1-3-8-21/h1-17H,18-19H2,(H,28,32)(H,30,31) |
| InChIK | PGMAOLAPCLRKAT-UHFFFAOYSA-N |
| TotalMolweight | 437.498 |
| Molweight | 437.498 |
| MonoisotopicMass | 437.173942 |
| CLogP | 4.8278 |
| CLogS | -6.435 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 348.08 |
| Relative PSA | 0.20257 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.0238 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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