N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H21N3O4S |
| Smiles | Oc1cccc(/C=N\NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)c1 |
| InChI | InChI=1S/C19H21N3O4S/c23-17-8-4-6-15(12-17)14-20-21-19(24)16-7-5-9-18(13-16)27(25,26)22-10-2-1-3-11-22/h4-9,12-14,23H,1-3,10-11H2,(H,21,24) |
| InChIK | KKYISWXHGHZORA-UHFFFAOYSA-N |
| TotalMolweight | 387.459 |
| Molweight | 387.459 |
| MonoisotopicMass | 387.125277 |
| CLogP | 3.0627 |
| CLogS | -3.52 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 287.52 |
| Relative PSA | 0.28255 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | -0.66253 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off