N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
Formula:C18H12N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide |
| MolecularFormula | C18H12N3O2Cl3S |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c(s1)cnc1Cl |
| InChI | InChI=1S/C18H12Cl3N3O2S/c19-15-6-1-11(7-16(15)20)10-26-13-4-2-12(3-5-13)17(25)24-23-9-14-8-22-18(21)27-14/h1-9H,10H2,(H,24,25) |
| InChIK | XPUUYXGGSIYKSS-UHFFFAOYSA-N |
| TotalMolweight | 440.737 |
| Molweight | 440.737 |
| MonoisotopicMass | 438.971578 |
| CLogP | 5.7747 |
| CLogS | -6.982 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.47 |
| Relative PSA | 0.24831 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 5.0947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide | 2 - N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
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