[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C23H14NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C23H14NO3ClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cc1 |
| InChI | InChI=1S/C23H14ClNO3S2/c24-17-10-8-16(9-11-17)22(27)28-19-12-6-15(7-13-19)14-20-21(26)25(23(29)30-20)18-4-2-1-3-5-18/h1-14H |
| InChIK | QMPWCMYGALNFOV-UHFFFAOYSA-N |
| TotalMolweight | 451.953 |
| Molweight | 451.953 |
| MonoisotopicMass | 451.010361 |
| CLogP | 4.9288 |
| CLogS | -7.189 |
| H Acceptors | 4 |
| TotalSurfaceArea | 325.41 |
| Relative PSA | 0.26158 |
| PolarSurfaceArea | 104 |
| Druglikeness | 2.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
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