(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H21N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H21N3O3S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C26H21N3O3S2/c30-25-23(34-26(33)28(25)16-20-10-6-12-31-20)14-18-15-29(19-8-2-1-3-9-19)27-24(18)22-13-17-7-4-5-11-21(17)32-22/h1-5,7-9,11,13-15,20H,6,10,12,16H2/t20-/m1/s1 |
| InChIK | KAXIPGLYYKQVJT-HXUWFJFHSA-N |
| TotalMolweight | 487.603 |
| Molweight | 487.603 |
| MonoisotopicMass | 487.102432 |
| CLogP | 3.1585 |
| CLogS | -6.187 |
| H Acceptors | 6 |
| TotalSurfaceArea | 358.53 |
| Relative PSA | 0.29016 |
| PolarSurfaceArea | 117.89 |
| Druglikeness | 4.3055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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