[4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C21H12NO3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C21H12NO3ClS3 |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=C(/C(N2c(cc3)ccc3Cl)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C21H12ClNO3S3/c22-14-5-7-15(8-6-14)23-19(24)18(29-21(23)27)12-13-3-9-16(10-4-13)26-20(25)17-2-1-11-28-17/h1-12H |
| InChIK | UWGTUDZEMNOJRZ-UHFFFAOYSA-N |
| TotalMolweight | 457.981 |
| Molweight | 457.981 |
| MonoisotopicMass | 456.966781 |
| CLogP | 4.7954 |
| CLogS | -7.199 |
| H Acceptors | 4 |
| TotalSurfaceArea | 321.35 |
| Relative PSA | 0.32824 |
| PolarSurfaceArea | 132.24 |
| Druglikeness | 3.3821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate
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