3-morpholin-4-ylsulfonyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Formula:C18H18N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C18H18N4O6S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)c1)=O |
| InChI | InChI=1S/C18H18N4O6S/c23-18(20-19-13-14-3-1-5-16(11-14)22(24)25)15-4-2-6-17(12-15)29(26,27)21-7-9-28-10-8-21/h1-6,11-13H,7-10H2,(H,20,23) |
| InChIK | BJMYTGZHPIBQBR-UHFFFAOYSA-N |
| TotalMolweight | 418.429 |
| Molweight | 418.429 |
| MonoisotopicMass | 418.094706 |
| CLogP | 1.3228 |
| CLogS | -3.387 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 301.08 |
| Relative PSA | 0.36057 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -4.8161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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