2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
Formula:C18H11N2O3Cl3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide |
| MolecularFormula | C18H11N2O3Cl3S2 |
| Smiles | O=C(COc(cc1)c(/C=C(/C(N2)=O)\SC2=S)cc1Cl)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C18H11Cl3N2O3S2/c19-10-1-4-14(9(5-10)6-15-17(25)23-18(27)28-15)26-8-16(24)22-11-2-3-12(20)13(21)7-11/h1-7H,8H2,(H,22,24)(H,23,25,27) |
| InChIK | VGFFRGUCVCKXDZ-UHFFFAOYSA-N |
| TotalMolweight | 473.787 |
| Molweight | 473.787 |
| MonoisotopicMass | 471.927664 |
| CLogP | 3.6846 |
| CLogS | -7 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 322.87 |
| Relative PSA | 0.32363 |
| PolarSurfaceArea | 124.82 |
| Druglikeness | 2.4557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide | 2 - 2-[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
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