3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
Formula:C20H20N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C20H20N4O6S |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C20H20N4O6S/c25-20(22-21-10-4-7-16-5-1-2-9-19(16)24(26)27)17-6-3-8-18(15-17)31(28,29)23-11-13-30-14-12-23/h1-10,15H,11-14H2,(H,22,25) |
| InChIK | LVDOLKQPUMRLDV-UHFFFAOYSA-N |
| TotalMolweight | 444.467 |
| Molweight | 444.467 |
| MonoisotopicMass | 444.110356 |
| CLogP | 1.3411 |
| CLogS | -3.679 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 327.58 |
| Relative PSA | 0.3314 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -6.5507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide | 2 - 3-morpholin-4-ylsulfonyl-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off