(5Z)-5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H19NO3ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H19NO3ClFS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc(Cl)c2OCc(cccc2)c2F)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C22H19ClFNO3S2/c23-17-10-14(7-8-19(17)28-13-15-4-1-2-6-18(15)24)11-20-21(26)25(22(29)30-20)12-16-5-3-9-27-16/h1-2,4,6-8,10-11,16H,3,5,9,12-13H2/t16-/m1/s1 |
| InChIK | DDFHZFZFMAFOHF-MRXNPFEDSA-N |
| TotalMolweight | 463.98 |
| Molweight | 463.98 |
| MonoisotopicMass | 463.047889 |
| CLogP | 3.7518 |
| CLogS | -6.214 |
| H Acceptors | 4 |
| TotalSurfaceArea | 332.05 |
| Relative PSA | 0.24719 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 1.5096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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