(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine
Formula:C22H22N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine |
| MolecularFormula | C22H22N4O3S |
| Smiles | [O-][N+](c1cccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c2cccs2)c1)=O |
| InChI | InChI=1S/C22H22N4O3S/c27-26(28)20-4-1-3-17(14-20)13-18-6-7-19(22(18)25-8-10-29-11-9-25)15-23-24-16-21-5-2-12-30-21/h1-5,12-16H,6-11H2 |
| InChIK | MPWYUXUALARJTK-UHFFFAOYSA-N |
| TotalMolweight | 422.508 |
| Molweight | 422.508 |
| MonoisotopicMass | 422.141261 |
| CLogP | 4.3101 |
| CLogS | -5.168 |
| H Acceptors | 7 |
| TotalSurfaceArea | 325.64 |
| Relative PSA | 0.26824 |
| PolarSurfaceArea | 111.25 |
| Druglikeness | -0.97143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine | 2 - (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-thiophen-2-ylmethylideneamino]methanimine
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