(5Z)-5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H14N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H14N3O4BrS |
| Smiles | [O-][N+](c(cc(cc1/C=C(/C(N2c3ccccc3)=O)\S/C2=N\c2ccccc2)Br)c1O)=O |
| InChI | InChI=1S/C22H14BrN3O4S/c23-15-11-14(20(27)18(13-15)26(29)30)12-19-21(28)25(17-9-5-2-6-10-17)22(31-19)24-16-7-3-1-4-8-16/h1-13,27H |
| InChIK | FQOXGDITIJHOFL-UHFFFAOYSA-N |
| TotalMolweight | 496.34 |
| Molweight | 496.34 |
| MonoisotopicMass | 494.988838 |
| CLogP | 4.1359 |
| CLogS | -6.848 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 321.15 |
| Relative PSA | 0.27747 |
| PolarSurfaceArea | 124.02 |
| Druglikeness | -3.4977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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