3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C20H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C20H21N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H21N3O4S/c24-20(22-21-11-5-8-17-6-2-1-3-7-17)18-9-4-10-19(16-18)28(25,26)23-12-14-27-15-13-23/h1-11,16H,12-15H2,(H,22,24) |
| InChIK | GZYXQLZFZOWWCI-UHFFFAOYSA-N |
| TotalMolweight | 399.47 |
| Molweight | 399.47 |
| MonoisotopicMass | 399.125277 |
| CLogP | 2.2627 |
| CLogS | -3.219 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.91 |
| Relative PSA | 0.25712 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -0.78794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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