N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C21H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C21H22N4O3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(CN3CCOCC3)=O)cc2)cccc1 |
| InChI | InChI=1S/C21H22N4O3/c22-13-18-3-1-2-4-19(18)16-28-20-7-5-17(6-8-20)14-23-24-21(26)15-25-9-11-27-12-10-25/h1-8,14H,9-12,15-16H2,(H,24,26) |
| InChIK | UWMDBVVSDYILCK-UHFFFAOYSA-N |
| TotalMolweight | 378.431 |
| Molweight | 378.431 |
| MonoisotopicMass | 378.169191 |
| CLogP | 2.204 |
| CLogS | -3.855 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.06 |
| Relative PSA | 0.23736 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | 1.1536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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