(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H21N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H21N2O2ClS |
| Smiles | Oc(cc1)c(/C=C(\C(N2C3CCCCC3)=O)/S/C2=N\c2ccccc2)cc1Cl |
| InChI | InChI=1S/C22H21ClN2O2S/c23-16-11-12-19(26)15(13-16)14-20-21(27)25(18-9-5-2-6-10-18)22(28-20)24-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18,26H,2,5-6,9-10H2 |
| InChIK | FQSYFLALSBWNRK-UHFFFAOYSA-N |
| TotalMolweight | 412.94 |
| Molweight | 412.94 |
| MonoisotopicMass | 412.101225 |
| CLogP | 4.9988 |
| CLogS | -6.019 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.31 |
| Relative PSA | 0.19414 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | -1.5158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
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