2-chloro-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
Formula:C20H20N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C20H20N3O4Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(c(cccc2)c2Cl)=O)cc1)N1CCOCC1 |
| InChI | InChI=1S/C20H20ClN3O4/c21-18-4-2-1-3-17(18)20(26)23-22-13-15-5-7-16(8-6-15)28-14-19(25)24-9-11-27-12-10-24/h1-8,13H,9-12,14H2,(H,23,26) |
| InChIK | NTJYMCBJYUICKU-UHFFFAOYSA-N |
| TotalMolweight | 401.849 |
| Molweight | 401.849 |
| MonoisotopicMass | 401.114234 |
| CLogP | 3.0568 |
| CLogS | -3.947 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.76 |
| Relative PSA | 0.23744 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 6.0573 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide | 2 - 2-chloro-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
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