(3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Formula:C18H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide |
| MolecularFormula | C18H15N3O2Cl2 |
| Smiles | O=C([C@@H](CC1=O)CN1c1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H15Cl2N3O2/c19-15-7-6-12(8-16(15)20)10-21-22-18(25)13-9-17(24)23(11-13)14-4-2-1-3-5-14/h1-8,10,13H,9,11H2,(H,22,25)/t13-/m0/s1 |
| InChIK | SSRAEOPLBTYNEZ-ZDUSSCGKSA-N |
| TotalMolweight | 376.242 |
| Molweight | 376.242 |
| MonoisotopicMass | 375.054131 |
| CLogP | 3.8463 |
| CLogS | -5.519 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.4 |
| Relative PSA | 0.1931 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 7.5628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide | 2 - (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off