(3Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
Formula:C23H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide is a drug-like molecule.
| MolName | (3Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide |
| MolecularFormula | C23H22N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(/C=C2\NC3(CCCC3)Cc3c2cccc3)=O)=O)ccc1)=O |
| InChI | InChI=1S/C23H22N4O4/c28-21(22(29)26-24-15-16-6-5-8-18(12-16)27(30)31)13-20-19-9-2-1-7-17(19)14-23(25-20)10-3-4-11-23/h1-2,5-9,12-13,15,25H,3-4,10-11,14H2,(H,26,29) |
| InChIK | JSTWVPCHCFPVFI-UHFFFAOYSA-N |
| TotalMolweight | 418.452 |
| Molweight | 418.452 |
| MonoisotopicMass | 418.164106 |
| CLogP | 2.8796 |
| CLogS | -5.46 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 316.79 |
| Relative PSA | 0.28704 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -5.2919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide | 2 - (3Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
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