2-[[4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile
Formula:C29H25N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C29H25N3O2S |
| Smiles | N#Cc1c(COc2ccc(/C=C(\C(N3C4CCCC4)=O)/S/C3=N\c3ccccc3)cc2)cccc1 |
| InChI | InChI=1S/C29H25N3O2S/c30-19-22-8-4-5-9-23(22)20-34-26-16-14-21(15-17-26)18-27-28(33)32(25-12-6-7-13-25)29(35-27)31-24-10-2-1-3-11-24/h1-5,8-11,14-18,25H,6-7,12-13,20H2 |
| InChIK | GMQWGVMVAFDGSK-UHFFFAOYSA-N |
| TotalMolweight | 479.603 |
| Molweight | 479.603 |
| MonoisotopicMass | 479.166747 |
| CLogP | 5.5802 |
| CLogS | -7.423 |
| H Acceptors | 5 |
| TotalSurfaceArea | 372.01 |
| Relative PSA | 0.18588 |
| PolarSurfaceArea | 90.99 |
| Druglikeness | -3.3633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-[(E)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile
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