N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
Formula:C22H19N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C22H19N3O3 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\C=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H19N3O3/c26-22(14-23-19-9-3-7-17-6-1-2-8-18(17)19)25-24-12-4-5-16-10-11-20-21(13-16)28-15-27-20/h1-13,23H,14-15H2,(H,25,26) |
| InChIK | KKSOTTWSZOUOET-UHFFFAOYSA-N |
| TotalMolweight | 373.411 |
| Molweight | 373.411 |
| MonoisotopicMass | 373.142642 |
| CLogP | 3.8176 |
| CLogS | -6.152 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.57 |
| Relative PSA | 0.22983 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 4.9129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide | 2 - N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(naphthalen-1-ylamino)acetamide
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