N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Formula:C27H22N3O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide |
| MolecularFormula | C27H22N3O3Br |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C27H22BrN3O3/c28-22-14-12-19(13-15-22)18-34-25-11-4-2-7-21(25)16-30-31-26(32)17-29-27(33)24-10-5-8-20-6-1-3-9-23(20)24/h1-16H,17-18H2,(H,29,33)(H,31,32) |
| InChIK | OJEJJJPJPFJSPM-UHFFFAOYSA-N |
| TotalMolweight | 516.394 |
| Molweight | 516.394 |
| MonoisotopicMass | 515.084453 |
| CLogP | 5.553 |
| CLogS | -7.269 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 366.71 |
| Relative PSA | 0.19228 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.2338 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide | 2 - N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
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