N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(4-bromonaphthalen-1-yl)acetamide
Formula:C22H17N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(4-bromonaphthalen-1-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(4-bromonaphthalen-1-yl)acetamide |
| MolecularFormula | C22H17N2O3Br |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\C=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H17BrN2O3/c23-19-9-8-16(17-5-1-2-6-18(17)19)13-22(26)25-24-11-3-4-15-7-10-20-21(12-15)28-14-27-20/h1-12H,13-14H2,(H,25,26) |
| InChIK | LFHFXEHKNSOKLQ-UHFFFAOYSA-N |
| TotalMolweight | 437.292 |
| Molweight | 437.292 |
| MonoisotopicMass | 436.042254 |
| CLogP | 5.249 |
| CLogS | -7.129 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.74 |
| Relative PSA | 0.18624 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4816 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(4-bromonaphthalen-1-yl)acetamide | 2 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(4-bromonaphthalen-1-yl)acetamide
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