[4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dichlorobenzoate
Formula:C23H19NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C23H19NO3Cl2S2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=C(/C(N2C3CCCCC3)=O)\SC2=S)cc1 |
| InChI | InChI=1S/C23H19Cl2NO3S2/c24-15-8-11-18(19(25)13-15)22(28)29-17-9-6-14(7-10-17)12-20-21(27)26(23(30)31-20)16-4-2-1-3-5-16/h6-13,16H,1-5H2 |
| InChIK | RAWXSUYBNOVUJV-UHFFFAOYSA-N |
| TotalMolweight | 492.446 |
| Molweight | 492.446 |
| MonoisotopicMass | 491.018338 |
| CLogP | 5.5953 |
| CLogS | -7.654 |
| H Acceptors | 4 |
| TotalSurfaceArea | 348.87 |
| Relative PSA | 0.24399 |
| PolarSurfaceArea | 104 |
| Druglikeness | -2.0027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dichlorobenzoate
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