(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one
Formula:C32H24N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C32H24N3OClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Sc(cc2)ccc2Cl)N(CCc2c[nH]c3c2cccc3)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C32H24ClN3OS2/c33-24-12-16-27(17-13-24)38-26-14-10-22(11-15-26)20-30-31(37)36(32(39-30)35-25-6-2-1-3-7-25)19-18-23-21-34-29-9-5-4-8-28(23)29/h1-17,20-21,34H,18-19H2 |
| InChIK | NABYQYRSERXISL-UHFFFAOYSA-N |
| TotalMolweight | 566.148 |
| Molweight | 566.148 |
| MonoisotopicMass | 565.104929 |
| CLogP | 7.4975 |
| CLogS | -8.487 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 416.86 |
| Relative PSA | 0.18488 |
| PolarSurfaceArea | 99.06 |
| Druglikeness | 5.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-phenylimino-1,3-thiazolidin-4-one
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