N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Formula:C20H21N4O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C20H21N4O6ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H21ClN4O6S/c21-18-7-3-16(13-19(18)25(27)28)14-22-23-20(26)8-4-15-1-5-17(6-2-15)32(29,30)24-9-11-31-12-10-24/h1-3,5-7,13-14H,4,8-12H2,(H,23,26) |
| InChIK | DRVCBWGFFDXFTO-UHFFFAOYSA-N |
| TotalMolweight | 480.928 |
| Molweight | 480.928 |
| MonoisotopicMass | 480.087033 |
| CLogP | 2.3813 |
| CLogS | -4.358 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 344.02 |
| Relative PSA | 0.31556 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -2.8046 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off