N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
Formula:C17H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide |
| MolecularFormula | C17H22N4O5 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)NCCCN1CCOCC1 |
| InChI | InChI=1S/C17H22N4O5/c22-16(18-4-1-5-21-6-8-24-9-7-21)17(23)20-19-11-13-2-3-14-15(10-13)26-12-25-14/h2-3,10-11H,1,4-9,12H2,(H,18,22)(H,20,23) |
| InChIK | MFVCJMWVKNJXNK-UHFFFAOYSA-N |
| TotalMolweight | 362.385 |
| Molweight | 362.385 |
| MonoisotopicMass | 362.159021 |
| CLogP | 0.6698 |
| CLogS | -2.489 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 279.82 |
| Relative PSA | 0.33614 |
| PolarSurfaceArea | 101.49 |
| Druglikeness | 4.9347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
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