N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-morpholin-4-ylacetamide
Formula:C14H16N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C14H16N3O4Br |
| Smiles | O=C(CN1CCOCC1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C14H16BrN3O4/c15-11-6-13-12(21-9-22-13)5-10(11)7-16-17-14(19)8-18-1-3-20-4-2-18/h5-7H,1-4,8-9H2,(H,17,19) |
| InChIK | KEQOZRITKRZTQT-UHFFFAOYSA-N |
| TotalMolweight | 370.202 |
| Molweight | 370.202 |
| MonoisotopicMass | 369.032418 |
| CLogP | 1.8569 |
| CLogS | -3.286 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 241.72 |
| Relative PSA | 0.28777 |
| PolarSurfaceArea | 72.39 |
| Druglikeness | 3.5895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-morpholin-4-ylacetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-morpholin-4-ylacetamide
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