(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C31H21N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C31H21N4OClS |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)N1c1ccccc1 |
| InChI | InChI=1S/C31H21ClN4OS/c32-24-18-16-22(17-19-24)29-23(21-35(34-29)26-12-6-2-7-13-26)20-28-30(37)36(27-14-8-3-9-15-27)31(38-28)33-25-10-4-1-5-11-25/h1-21H |
| InChIK | CYPQMQAYMAKDDS-UHFFFAOYSA-N |
| TotalMolweight | 533.054 |
| Molweight | 533.054 |
| MonoisotopicMass | 532.112458 |
| CLogP | 6.203 |
| CLogS | -8.099 |
| H Acceptors | 5 |
| TotalSurfaceArea | 395.4 |
| Relative PSA | 0.16042 |
| PolarSurfaceArea | 75.79 |
| Druglikeness | 5.3331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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