[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate
Formula:C29H19N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C29H19N2O3BrS |
| Smiles | O=C(c(cc1)ccc1Br)Oc1ccc(/C=C(/C(N2c3ccccc3)=O)\S/C2=N\c2ccccc2)cc1 |
| InChI | InChI=1S/C29H19BrN2O3S/c30-22-15-13-21(14-16-22)28(34)35-25-17-11-20(12-18-25)19-26-27(33)32(24-9-5-2-6-10-24)29(36-26)31-23-7-3-1-4-8-23/h1-19H |
| InChIK | BHQUXJINMHPNBK-UHFFFAOYSA-N |
| TotalMolweight | 555.451 |
| Molweight | 555.451 |
| MonoisotopicMass | 554.029974 |
| CLogP | 6.8337 |
| CLogS | -8.154 |
| H Acceptors | 5 |
| TotalSurfaceArea | 378.64 |
| Relative PSA | 0.18125 |
| PolarSurfaceArea | 84.27 |
| Druglikeness | 1.4488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate
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