2-[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Formula:C24H31N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C24H31N3O3S |
| Smiles | NC(COc1ccc(/C=C(/C(N2C3CCCCC3)=O)\S/C2=N\C2CCCCC2)cc1)=O |
| InChI | InChI=1S/C24H31N3O3S/c25-22(28)16-30-20-13-11-17(12-14-20)15-21-23(29)27(19-9-5-2-6-10-19)24(31-21)26-18-7-3-1-4-8-18/h11-15,18-19H,1-10,16H2,(H2,25,28) |
| InChIK | DQZLRIPONWWJRC-UHFFFAOYSA-N |
| TotalMolweight | 441.594 |
| Molweight | 441.594 |
| MonoisotopicMass | 441.208612 |
| CLogP | 3.6423 |
| CLogS | -5.86 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.61 |
| Relative PSA | 0.24778 |
| PolarSurfaceArea | 110.29 |
| Druglikeness | -2.4639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 15 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 2-[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
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