(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H21N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21N3O2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C24H21N3O2S2/c28-23-21(31-24(30)26(23)16-20-12-7-13-29-20)14-18-15-27(19-10-5-2-6-11-19)25-22(18)17-8-3-1-4-9-17/h1-6,8-11,14-15,20H,7,12-13,16H2/t20-/m1/s1 |
| InChIK | RCZRGXKCCQVRPR-HXUWFJFHSA-N |
| TotalMolweight | 447.582 |
| Molweight | 447.582 |
| MonoisotopicMass | 447.107517 |
| CLogP | 2.6159 |
| CLogS | -5.336 |
| H Acceptors | 5 |
| TotalSurfaceArea | 334.24 |
| Relative PSA | 0.26903 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 4.3788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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