2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
Formula:C24H23N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile |
| MolecularFormula | C24H23N3O2S |
| Smiles | N#CCOc1ccc(/C=C(/C(N2C3CCCCC3)=O)\S/C2=N\c2ccccc2)cc1 |
| InChI | InChI=1S/C24H23N3O2S/c25-15-16-29-21-13-11-18(12-14-21)17-22-23(28)27(20-9-5-2-6-10-20)24(30-22)26-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,16H2 |
| InChIK | FDGJITHWZJLLDK-UHFFFAOYSA-N |
| TotalMolweight | 417.532 |
| Molweight | 417.532 |
| MonoisotopicMass | 417.151097 |
| CLogP | 4.3204 |
| CLogS | -6.045 |
| H Acceptors | 5 |
| TotalSurfaceArea | 326.01 |
| Relative PSA | 0.21211 |
| PolarSurfaceArea | 90.99 |
| Druglikeness | -6.0367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile | 2 - 2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
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