2-[[2-bromo-6-chloro-4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
Formula:C29H19N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-bromo-6-chloro-4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[2-bromo-6-chloro-4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C29H19N3O3BrClS |
| Smiles | N#Cc1c(COc(c(Cl)cc(/C=C(\C(N2Cc3ccco3)=O)/S/C2=N\c2ccccc2)c2)c2Br)cccc1 |
| InChI | InChI=1S/C29H19BrClN3O3S/c30-24-13-19(14-25(31)27(24)37-18-21-8-5-4-7-20(21)16-32)15-26-28(35)34(17-23-11-6-12-36-23)29(38-26)33-22-9-2-1-3-10-22/h1-15H,17-18H2 |
| InChIK | LWZRKGBTJMHBDJ-UHFFFAOYSA-N |
| TotalMolweight | 604.911 |
| Molweight | 604.911 |
| MonoisotopicMass | 603.0019 |
| CLogP | 6.3045 |
| CLogS | -8.694 |
| H Acceptors | 6 |
| TotalSurfaceArea | 415.23 |
| Relative PSA | 0.20052 |
| PolarSurfaceArea | 104.13 |
| Druglikeness | -1.9404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[2-bromo-6-chloro-4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-bromo-6-chloro-4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
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