2-[3-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
Formula:C26H32N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C26H32N4O2S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2C3CCCCC3)=O)\S/C2=N\C2CCCCC2)c1)=O |
| InChI | InChI=1S/C26H32N4O2S/c27-24(31)17-29-16-18(21-13-7-8-14-22(21)29)15-23-25(32)30(20-11-5-2-6-12-20)26(33-23)28-19-9-3-1-4-10-19/h7-8,13-16,19-20H,1-6,9-12,17H2,(H2,27,31) |
| InChIK | SZRDWQCDGMOZFD-UHFFFAOYSA-N |
| TotalMolweight | 464.632 |
| Molweight | 464.632 |
| MonoisotopicMass | 464.224596 |
| CLogP | 3.7342 |
| CLogS | -5.735 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.41 |
| Relative PSA | 0.22919 |
| PolarSurfaceArea | 105.99 |
| Druglikeness | -0.87661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
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