(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C19H11N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C19H11N3O3Cl2S |
| Smiles | O/C(/c1ccncc1)=C(\C(c(cc1)cc(Cl)c1Cl)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C19H11Cl2N3O3S/c20-12-2-1-11(9-13(12)21)15-14(16(25)10-3-5-22-6-4-10)17(26)18(27)24(15)19-23-7-8-28-19/h1-9,15,25H/t15-/m1/s1 |
| InChIK | RONWAAOZYAKQLN-OAHLLOKOSA-N |
| TotalMolweight | 432.286 |
| Molweight | 432.286 |
| MonoisotopicMass | 430.989816 |
| CLogP | 3.2707 |
| CLogS | -4.403 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.15 |
| Relative PSA | 0.29205 |
| PolarSurfaceArea | 111.63 |
| Druglikeness | 0.23177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off