N-[(Z)-benzylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C18H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C18H19N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H19N3O4S/c22-18(20-19-14-15-5-2-1-3-6-15)16-7-4-8-17(13-16)26(23,24)21-9-11-25-12-10-21/h1-8,13-14H,9-12H2,(H,20,22) |
| InChIK | ITYBHFLYWLDQLG-UHFFFAOYSA-N |
| TotalMolweight | 373.432 |
| Molweight | 373.432 |
| MonoisotopicMass | 373.109627 |
| CLogP | 2.2444 |
| CLogS | -2.927 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.41 |
| Relative PSA | 0.28168 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.22948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-3-morpholin-4-ylsulfonylbenzamide | 2 - N-[(Z)-benzylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off