(5Z)-3-benzyl-2-benzylimino-5-[(4-bromophenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C24H19N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-3-benzyl-2-benzylimino-5-[(4-bromophenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-2-benzylimino-5-[(4-bromophenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H19N2OBrS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Br)N(Cc2ccccc2)/C1=N/Cc1ccccc1 |
| InChI | InChI=1S/C24H19BrN2OS/c25-21-13-11-18(12-14-21)15-22-23(28)27(17-20-9-5-2-6-10-20)24(29-22)26-16-19-7-3-1-4-8-19/h1-15H,16-17H2 |
| InChIK | OOCKERZMMJCAEU-UHFFFAOYSA-N |
| TotalMolweight | 463.398 |
| Molweight | 463.398 |
| MonoisotopicMass | 462.040144 |
| CLogP | 5.4301 |
| CLogS | -6.323 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.65 |
| Relative PSA | 0.14307 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.0062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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