| MolName | N-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide |
| MolecularFormula | C18H13N3O2Cl2S |
| Smiles | O=C(CCl)N(C(c(cc1)ccc1Cl)=CS1)/C1=N/NC(c1ccccc1)=O |
| InChI | InChI=1S/C18H13Cl2N3O2S/c19-10-16(24)23-15(12-6-8-14(20)9-7-12)11-26-18(23)22-21-17(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25) |
| InChIK | JVNXERWAOFKPHB-UHFFFAOYSA-N |
| TotalMolweight | 406.292 |
| Molweight | 406.292 |
| MonoisotopicMass | 405.010551 |
| CLogP | 4.7662 |
| CLogS | -5.659 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.55 |
| Relative PSA | 0.2446 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 4.6101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide | 2 - N-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide