3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2-thiazole-4-carboxamide
Formula:C17H9N3OCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2-thiazole-4-carboxamide is not a drug-like molecule.
| MolName | 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2-thiazole-4-carboxamide |
| MolecularFormula | C17H9N3OCl4S |
| Smiles | O=C(c1csnc1-c(c(Cl)ccc1)c1Cl)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H9Cl4N3OS/c18-11-3-1-4-12(19)9(11)7-22-23-17(25)10-8-26-24-16(10)15-13(20)5-2-6-14(15)21/h1-8H,(H,23,25) |
| InChIK | RKXWUTZNPLSIRZ-UHFFFAOYSA-N |
| TotalMolweight | 445.156 |
| Molweight | 445.156 |
| MonoisotopicMass | 442.92204 |
| CLogP | 6.6515 |
| CLogS | -6.683 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.13 |
| Relative PSA | 0.22215 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 5.7788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2-thiazole-4-carboxamide | 2 - 3-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,2-thiazole-4-carboxamide
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