(3S,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Formula:C18H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S,4R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H16N3O2Cl |
| Smiles | O=C([C@@H]([C@@H](CN1)c2ccccc2)C1=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H16ClN3O2/c19-15-9-5-4-8-13(15)10-21-22-18(24)16-14(11-20-17(16)23)12-6-2-1-3-7-12/h1-10,14,16H,11H2,(H,20,23)(H,22,24)/t14-,16-/m0/s1 |
| InChIK | GZINHKYBFUOPJP-HOCLYGCPSA-N |
| TotalMolweight | 341.797 |
| Molweight | 341.797 |
| MonoisotopicMass | 341.093104 |
| CLogP | 3.2366 |
| CLogS | -4.533 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.88 |
| Relative PSA | 0.23556 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.9433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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