(2R,3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C22H17N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R,3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (2R,3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C22H17N2O3Cl |
| Smiles | O=C([C@H]1Oc(cccc2)c2O[C@@H]1c1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H17ClN2O3/c23-17-12-10-15(11-13-17)14-24-25-22(26)21-20(16-6-2-1-3-7-16)27-18-8-4-5-9-19(18)28-21/h1-14,20-21H,(H,25,26)/t20-,21+/m1/s1 |
| InChIK | OJVRXXVGKYLXKB-RTWAWAEBSA-N |
| TotalMolweight | 392.841 |
| Molweight | 392.841 |
| MonoisotopicMass | 392.09277 |
| CLogP | 4.8659 |
| CLogS | -5.573 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.67 |
| Relative PSA | 0.19072 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 5.4485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R,3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (2R,3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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