(2Z)-2-(1,3-benzothiazol-2-yl)-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]acetonitrile
Formula:C24H18N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-benzothiazol-2-yl)-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]acetonitrile |
| MolecularFormula | C24H18N3O2FS2 |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C(\N(CC1OCCC1)C1=O)/S/C1=C/c(cc1)ccc1F |
| InChI | InChI=1S/C24H18FN3O2S2/c25-16-9-7-15(8-10-16)12-21-23(29)28(14-17-4-3-11-30-17)24(32-21)18(13-26)22-27-19-5-1-2-6-20(19)31-22/h1-2,5-10,12,17H,3-4,11,14H2/t17-/m1/s1 |
| InChIK | UOGMDKZUACBWMQ-QGZVFWFLSA-N |
| TotalMolweight | 463.556 |
| Molweight | 463.556 |
| MonoisotopicMass | 463.082445 |
| CLogP | 3.9714 |
| CLogS | -5.59 |
| H Acceptors | 5 |
| TotalSurfaceArea | 334.09 |
| Relative PSA | 0.26631 |
| PolarSurfaceArea | 119.76 |
| Druglikeness | -2.3156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]acetonitrile | 2 - (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]acetonitrile
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