2,4-dichloro-N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]benzamide
Formula:C18H12N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C18H12N3O2Cl3S |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OCc(s1)cnc1Cl |
| InChI | InChI=1S/C18H12Cl3N3O2S/c19-12-3-6-15(16(20)7-12)17(25)24-23-8-11-1-4-13(5-2-11)26-10-14-9-22-18(21)27-14/h1-9H,10H2,(H,24,25) |
| InChIK | NMSKVYPYXLOIDB-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 - 2,4-dichloro-N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]benzamide
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