(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H20N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(4-chlorophenyl)-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-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H20N3O2ClS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C24H20ClN3O2S2/c25-18-10-8-16(9-11-18)22-17(14-28(26-22)19-5-2-1-3-6-19)13-21-23(29)27(24(31)32-21)15-20-7-4-12-30-20/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2/t20-/m1/s1 |
| InChIK | ZDBCUDWVRHAXEZ-HXUWFJFHSA-N |
| TotalMolweight | 482.027 |
| Molweight | 482.027 |
| MonoisotopicMass | 481.068544 |
| CLogP | 3.2219 |
| CLogS | -6.072 |
| H Acceptors | 5 |
| TotalSurfaceArea | 349.66 |
| Relative PSA | 0.25716 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 4.4351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
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1 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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