N-[(Z)-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C20H20N3O3Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C20H20N3O3Cl4 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c(cc1Cl)cc(Cl)c1OCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H19Cl4N3O3/c21-15-2-1-13(7-16(15)22)12-30-20-17(23)8-14(9-18(20)24)10-25-26-19(28)11-27-3-5-29-6-4-27/h1-2,7-10H,3-6,11-12H2,(H,26,28)/p+1 |
| InChIK | YMDPIZHATCSNGD-UHFFFAOYSA-O |
| TotalMolweight | 492.209 |
| Molweight | 492.209 |
| MonoisotopicMass | 490.025875 |
| CLogP | 2.6827 |
| CLogS | -6.026 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 362.07 |
| Relative PSA | 0.20328 |
| PolarSurfaceArea | 64.36 |
| Druglikeness | 2.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide | 2 - N-[(Z)-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
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