(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
Formula:C27H23N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C27H23N2O2ClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Sc(cc2)ccc2Cl)N(CC2OCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C27H23ClN2O2S2/c28-20-10-14-24(15-11-20)33-23-12-8-19(9-13-23)17-25-26(31)30(18-22-7-4-16-32-22)27(34-25)29-21-5-2-1-3-6-21/h1-3,5-6,8-15,17,22H,4,7,16,18H2/t22-/m1/s1 |
| InChIK | JCWAXPRFROFAAD-JOCHJYFZSA-N |
| TotalMolweight | 507.077 |
| Molweight | 507.077 |
| MonoisotopicMass | 506.088945 |
| CLogP | 5.9097 |
| CLogS | -7.212 |
| H Acceptors | 4 |
| TotalSurfaceArea | 369.45 |
| Relative PSA | 0.19781 |
| PolarSurfaceArea | 92.5 |
| Druglikeness | 3.2792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
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