N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C19H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C19H19N3O4 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H19N3O4/c23-19(15-3-6-17-18(11-15)26-13-25-17)21-20-12-14-1-4-16(5-2-14)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23) |
| InChIK | IEDAJSSZWKBTPI-UHFFFAOYSA-N |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.137557 |
| CLogP | 2.982 |
| CLogS | -4.535 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.09 |
| Relative PSA | 0.2585 |
| PolarSurfaceArea | 72.39 |
| Druglikeness | 5.0583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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