(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C34H26N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C34H26N3O2FS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)N(CCc2ccccc2)C1=S |
| InChI | InChI=1S/C34H26FN3O2S2/c35-28-15-11-25(12-16-28)23-40-30-17-13-26(14-18-30)32-27(22-38(36-32)29-9-5-2-6-10-29)21-31-33(39)37(34(41)42-31)20-19-24-7-3-1-4-8-24/h1-18,21-22H,19-20,23H2 |
| InChIK | BOFHCRYBBPMQEY-UHFFFAOYSA-N |
| TotalMolweight | 591.729 |
| Molweight | 591.729 |
| MonoisotopicMass | 591.145045 |
| CLogP | 5.6132 |
| CLogS | -7.741 |
| H Acceptors | 5 |
| TotalSurfaceArea | 447.35 |
| Relative PSA | 0.20101 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 4.4963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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