N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
Formula:C21H18N3OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C21H18N3OBr |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\C=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H18BrN3O/c22-18-12-10-16(11-13-18)5-4-14-24-25-21(26)15-23-20-9-3-7-17-6-1-2-8-19(17)20/h1-14,23H,15H2,(H,25,26) |
| InChIK | KQVFEJMIKZETAK-UHFFFAOYSA-N |
| TotalMolweight | 408.298 |
| Molweight | 408.298 |
| MonoisotopicMass | 407.063323 |
| CLogP | 4.4314 |
| CLogS | -6.275 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 291.94 |
| Relative PSA | 0.1626 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide | 2 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
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