N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C18H17N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C18H17N3O4Cl2S |
| Smiles | O=C(c1cc(S(N2CCOCC2)(=O)=O)ccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H17Cl2N3O4S/c19-16-5-4-13(10-17(16)20)12-21-22-18(24)14-2-1-3-15(11-14)28(25,26)23-6-8-27-9-7-23/h1-5,10-12H,6-9H2,(H,22,24) |
| InChIK | XHRZVCOSLJWRAK-UHFFFAOYSA-N |
| TotalMolweight | 442.322 |
| Molweight | 442.322 |
| MonoisotopicMass | 441.031681 |
| CLogP | 3.4564 |
| CLogS | -4.399 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.25 |
| Relative PSA | 0.2535 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.52208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
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