(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-imidazol-1-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H19N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-imidazol-1-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-imidazol-1-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H19N4OClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)N(CCCn2cncc2)/C1=N\c1ccccc1 |
| InChI | InChI=1S/C22H19ClN4OS/c23-18-9-7-17(8-10-18)15-20-21(28)27(13-4-12-26-14-11-24-16-26)22(29-20)25-19-5-2-1-3-6-19/h1-3,5-11,14-16H,4,12-13H2 |
| InChIK | XMCPDGUGEGIXBA-UHFFFAOYSA-N |
| TotalMolweight | 422.939 |
| Molweight | 422.939 |
| MonoisotopicMass | 422.096808 |
| CLogP | 3.8809 |
| CLogS | -4.426 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.16 |
| Relative PSA | 0.19999 |
| PolarSurfaceArea | 75.79 |
| Druglikeness | 6.0976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-imidazol-1-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(3-imidazol-1-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
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