N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-cyanoacetamide
Formula:C16H17N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C16H17N4O4Br |
| Smiles | N#CCC(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C16H17BrN4O4/c17-13-9-12(10-19-20-15(22)3-4-18)1-2-14(13)25-11-16(23)21-5-7-24-8-6-21/h1-2,9-10H,3,5-8,11H2,(H,20,22) |
| InChIK | MYTZZFQPNUKHMI-UHFFFAOYSA-N |
| TotalMolweight | 409.239 |
| Molweight | 409.239 |
| MonoisotopicMass | 408.043317 |
| CLogP | 1.4322 |
| CLogS | -3.293 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 284.68 |
| Relative PSA | 0.30266 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -3.012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-cyanoacetamide
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