N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Formula:C20H21N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C20H21N5O6S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2N2CCOCC2)=O)cc1)=O |
| InChI | InChI=1S/C20H21N5O6S/c26-20(14-32-13-15-1-3-17(4-2-15)24(27)28)22-21-12-16-11-18(25(29)30)5-6-19(16)23-7-9-31-10-8-23/h1-6,11-12H,7-10,13-14H2,(H,22,26) |
| InChIK | QEMXQYTZGWUXLC-UHFFFAOYSA-N |
| TotalMolweight | 459.482 |
| Molweight | 459.482 |
| MonoisotopicMass | 459.121255 |
| CLogP | 1.217 |
| CLogS | -5.53 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 341.18 |
| Relative PSA | 0.37485 |
| PolarSurfaceArea | 170.87 |
| Druglikeness | 0.29969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off