N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C22H18N2O4 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H18N2O4/c25-22(18-9-10-20-21(12-18)28-15-27-20)24-23-13-17-7-4-8-19(11-17)26-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,24,25) |
| InChIK | QIBOUDCGFDMBCO-UHFFFAOYSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 4.6611 |
| CLogS | -5.773 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.77 |
| Relative PSA | 0.22702 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 3.9573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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