N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-2-carboxamide
Formula:C22H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C22H22N4O5 |
| Smiles | [O-][N+](c1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\NC(c2ccco2)=O)cc1)=O |
| InChI | InChI=1S/C22H22N4O5/c27-22(20-2-1-11-31-20)24-23-15-18-6-5-17(21(18)25-9-12-30-13-10-25)14-16-3-7-19(8-4-16)26(28)29/h1-4,7-8,11,14-15H,5-6,9-10,12-13H2,(H,24,27) |
| InChIK | MGYFBLFIJUQGAR-UHFFFAOYSA-N |
| TotalMolweight | 422.44 |
| Molweight | 422.44 |
| MonoisotopicMass | 422.159021 |
| CLogP | 2.0482 |
| CLogS | -4.429 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 323.84 |
| Relative PSA | 0.29054 |
| PolarSurfaceArea | 112.89 |
| Druglikeness | -0.44181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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