(Z)-N-[(Z)-furan-2-ylmethylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
Formula:C22H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-furan-2-ylmethylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-furan-2-ylmethylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine |
| MolecularFormula | C22H22N4O4 |
| Smiles | [O-][N+](c1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c2ccco2)cc1)=O |
| InChI | InChI=1S/C22H22N4O4/c27-26(28)20-7-3-17(4-8-20)14-18-5-6-19(22(18)25-9-12-29-13-10-25)15-23-24-16-21-2-1-11-30-21/h1-4,7-8,11,14-16H,5-6,9-10,12-13H2 |
| InChIK | HWSIKWAXYUIHBE-UHFFFAOYSA-N |
| TotalMolweight | 406.441 |
| Molweight | 406.441 |
| MonoisotopicMass | 406.164106 |
| CLogP | 3.6322 |
| CLogS | -4.84 |
| H Acceptors | 8 |
| TotalSurfaceArea | 319.39 |
| Relative PSA | 0.25392 |
| PolarSurfaceArea | 96.15 |
| Druglikeness | -2.5716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(Z)-furan-2-ylmethylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine | 2 - (Z)-N-[(Z)-furan-2-ylmethylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off