(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H14N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H14N3O3BrS |
| Smiles | [O-][N+](c(cc(/C=C(/C(N1c2ccccc2)=O)\S/C1=N\c1ccccc1)cc1)c1Br)=O |
| InChI | InChI=1S/C22H14BrN3O3S/c23-18-12-11-15(13-19(18)26(28)29)14-20-21(27)25(17-9-5-2-6-10-17)22(30-20)24-16-7-3-1-4-8-16/h1-14H |
| InChIK | HKNBWACOBFPLIB-UHFFFAOYSA-N |
| TotalMolweight | 480.341 |
| Molweight | 480.341 |
| MonoisotopicMass | 478.993923 |
| CLogP | 4.4816 |
| CLogS | -7.144 |
| H Acceptors | 6 |
| TotalSurfaceArea | 314.8 |
| Relative PSA | 0.24145 |
| PolarSurfaceArea | 103.79 |
| Druglikeness | -3.513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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