(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
Formula:C24H22N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H22N4O5S |
| Smiles | [O-][N+](c1c(/C=C/C=C(\C(N2CC(N(CC3)CCN3c3ccccc3)=O)=O)/SC2=O)cccc1)=O |
| InChI | InChI=1S/C24H22N4O5S/c29-22(26-15-13-25(14-16-26)19-9-2-1-3-10-19)17-27-23(30)21(34-24(27)31)12-6-8-18-7-4-5-11-20(18)28(32)33/h1-12H,13-17H2 |
| InChIK | GIUHPTYCWLKUGC-UHFFFAOYSA-N |
| TotalMolweight | 478.528 |
| Molweight | 478.528 |
| MonoisotopicMass | 478.131091 |
| CLogP | 2.4011 |
| CLogS | -4.378 |
| H Acceptors | 9 |
| TotalSurfaceArea | 351.34 |
| Relative PSA | 0.27802 |
| PolarSurfaceArea | 132.05 |
| Druglikeness | 3.0072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
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