4-morpholin-4-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C17H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C17H18N4O4S |
| Smiles | O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C17H18N4O4S/c22-17(20-19-13-14-2-1-7-18-12-14)15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12-13H,8-11H2,(H,20,22) |
| InChIK | GMERRGZDSWGPBE-UHFFFAOYSA-N |
| TotalMolweight | 374.42 |
| Molweight | 374.42 |
| MonoisotopicMass | 374.104876 |
| CLogP | 1.2435 |
| CLogS | -2.132 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 276.17 |
| Relative PSA | 0.32266 |
| PolarSurfaceArea | 109.34 |
| Druglikeness | 6.1086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-morpholin-4-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 4-morpholin-4-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off