(3R)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C20H14N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(3R)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C20H14N2O4Cl2 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H14Cl2N2O4/c21-14-7-5-12(9-15(14)22)16-8-6-13(27-16)10-23-24-20(25)19-11-26-17-3-1-2-4-18(17)28-19/h1-10,19H,11H2,(H,24,25)/t19-/m1/s1 |
| InChIK | PKQDPALVYGUQAV-LJQANCHMSA-N |
| TotalMolweight | 417.247 |
| Molweight | 417.247 |
| MonoisotopicMass | 416.033062 |
| CLogP | 4.8946 |
| CLogS | -6.675 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.04 |
| Relative PSA | 0.2337 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 7.0252 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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