N-[(Z)-(4-bromophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C18H18N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C18H18N3O4BrS |
| Smiles | O=C(c1cc(S(N2CCOCC2)(=O)=O)ccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H18BrN3O4S/c19-16-6-4-14(5-7-16)13-20-21-18(23)15-2-1-3-17(12-15)27(24,25)22-8-10-26-11-9-22/h1-7,12-13H,8-11H2,(H,21,23) |
| InChIK | QBZZPNOGCMRRDJ-UHFFFAOYSA-N |
| TotalMolweight | 452.328 |
| Molweight | 452.328 |
| MonoisotopicMass | 451.020138 |
| CLogP | 2.9696 |
| CLogS | -3.761 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.04 |
| Relative PSA | 0.26395 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -1.6033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
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