N-[(E)-[3-(2-chloroacetyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]benzamide
Formula:C18H14N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[3-(2-chloroacetyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-[3-(2-chloroacetyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]benzamide |
| MolecularFormula | C18H14N3O2ClS |
| Smiles | O=C(CCl)N(C(c1ccccc1)=CS1)/C1=N\NC(c1ccccc1)=O |
| InChI | InChI=1S/C18H14ClN3O2S/c19-11-16(23)22-15(13-7-3-1-4-8-13)12-25-18(22)21-20-17(24)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,24) |
| InChIK | PJNFFVNDXTZYMM-UHFFFAOYSA-N |
| TotalMolweight | 371.847 |
| Molweight | 371.847 |
| MonoisotopicMass | 371.049524 |
| CLogP | 4.1602 |
| CLogS | -4.923 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.13 |
| Relative PSA | 0.25851 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 4.6101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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