| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C20H21N3O4Cl2S |
| Smiles | O=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H21Cl2N3O4S/c21-18-7-3-16(13-19(18)22)14-23-24-20(26)8-4-15-1-5-17(6-2-15)30(27,28)25-9-11-29-12-10-25/h1-3,5-7,13-14H,4,8-12H2,(H,24,26) |
| InChIK | ZLFYEFBGLFIEDO-UHFFFAOYSA-N |
| TotalMolweight | 470.376 |
| Molweight | 470.376 |
| MonoisotopicMass | 469.062981 |
| CLogP | 3.9089 |
| CLogS | -4.634 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.77 |
| Relative PSA | 0.23272 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 4.8952 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide