(5Z)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C31H27N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C31H27N3O3S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(OCc3ccccc3)ccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C31H27N3O3S2/c35-30-28(39-31(38)33(30)20-27-15-8-16-36-27)18-24-19-34(25-12-5-2-6-13-25)32-29(24)23-11-7-14-26(17-23)37-21-22-9-3-1-4-10-22/h1-7,9-14,17-19,27H,8,15-16,20-21H2/t27-/m1/s1 |
| InChIK | YUBQPIMPTAIEJX-HHHXNRCGSA-N |
| TotalMolweight | 553.705 |
| Molweight | 553.705 |
| MonoisotopicMass | 553.149382 |
| CLogP | 3.964 |
| CLogS | -6.677 |
| H Acceptors | 6 |
| TotalSurfaceArea | 417.76 |
| Relative PSA | 0.23918 |
| PolarSurfaceArea | 113.98 |
| Druglikeness | 4.3788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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