2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C24H20N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C24H20N3O5 |
| Smiles | [O-]C(c(cccc1)c1-c1ccc(/C=N\NC(CN(C[C@@H](C2)c3ccccc3)C2=O)=O)o1)=O |
| InChI | InChI=1S/C24H21N3O5/c28-22(15-27-14-17(12-23(27)29)16-6-2-1-3-7-16)26-25-13-18-10-11-21(32-18)19-8-4-5-9-20(19)24(30)31/h1-11,13,17H,12,14-15H2,(H,26,28)(H,30,31)/p-1/t17-/m0/s1 |
| InChIK | QOKTVZVHGYCXFU-KRWDZBQOSA-M |
| TotalMolweight | 430.439 |
| Molweight | 430.439 |
| MonoisotopicMass | 430.140297 |
| CLogP | 1.3685 |
| CLogS | -5.048 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 330.05 |
| Relative PSA | 0.2849 |
| PolarSurfaceArea | 115.04 |
| Druglikeness | 9.1862 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate | 2 - 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
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