N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
Formula:C22H23N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide |
| MolecularFormula | C22H23N4O4Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(C(N2CCCCC2)=O)=O)cc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C22H23ClN4O4/c23-18-6-2-3-7-19(18)25-20(28)15-31-17-10-8-16(9-11-17)14-24-26-21(29)22(30)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,25,28)(H,26,29) |
| InChIK | BTTILUKKVUPBHS-UHFFFAOYSA-N |
| TotalMolweight | 442.902 |
| Molweight | 442.902 |
| MonoisotopicMass | 442.140783 |
| CLogP | 3.1631 |
| CLogS | -4.64 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 338.73 |
| Relative PSA | 0.25714 |
| PolarSurfaceArea | 100.1 |
| Druglikeness | 3.7416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide | 2 - N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
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