N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C20H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C20H18N4O4 |
| Smiles | [O-][N+](c1cc(/C=C/C=N\NC(C(C(CN2)c3ccccc3)C2=O)=O)ccc1)=O |
| InChI | InChI=1S/C20H18N4O4/c25-19-18(17(13-21-19)15-8-2-1-3-9-15)20(26)23-22-11-5-7-14-6-4-10-16(12-14)24(27)28/h1-12,17-18H,13H2,(H,21,25)(H,23,26) |
| InChIK | IIPQIGLECFYSTQ-UHFFFAOYSA-N |
| TotalMolweight | 378.387 |
| Molweight | 378.387 |
| MonoisotopicMass | 378.132806 |
| CLogP | 1.7273 |
| CLogS | -4.549 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.63 |
| Relative PSA | 0.3118 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 1.8651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide | 2 - N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
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