N-[(Z)-(2-iodophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C18H18N3O4IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C18H18N3O4IS |
| Smiles | O=C(c1cc(S(N2CCOCC2)(=O)=O)ccc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C18H18IN3O4S/c19-17-7-2-1-4-15(17)13-20-21-18(23)14-5-3-6-16(12-14)27(24,25)22-8-10-26-11-9-22/h1-7,12-13H,8-11H2,(H,21,23) |
| InChIK | LYHMTMJFTWGBMU-UHFFFAOYSA-N |
| TotalMolweight | 499.324 |
| Molweight | 499.324 |
| MonoisotopicMass | 499.006275 |
| CLogP | 2.6815 |
| CLogS | -3.943 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.69 |
| Relative PSA | 0.2573 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.54806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-(2-iodophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide | 2 - N-[(Z)-(2-iodophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
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