(2Z,5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
Formula:C32H24NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z,5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C32H24NO4ClS |
| Smiles | O=C(/C=C(/NC1=O)\S/C1=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C32H24ClNO4S/c33-26-14-12-25(13-15-26)27(35)19-31-34-32(36)30(39-31)18-24-11-16-28(37-20-22-7-3-1-4-8-22)29(17-24)38-21-23-9-5-2-6-10-23/h1-19H,20-21H2,(H,34,36) |
| InChIK | XGEZMUUIZSGMFA-UHFFFAOYSA-N |
| TotalMolweight | 554.065 |
| Molweight | 554.065 |
| MonoisotopicMass | 553.111456 |
| CLogP | 6.5841 |
| CLogS | -8.318 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 415.85 |
| Relative PSA | 0.18043 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 3.5214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (2Z,5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one | 2 - (2Z,5Z)-5-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
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