N-[(Z)-(3-benzoyl-1,3-benzothiazol-2-ylidene)amino]benzamide
Formula:C21H15N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-benzoyl-1,3-benzothiazol-2-ylidene)amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-benzoyl-1,3-benzothiazol-2-ylidene)amino]benzamide |
| MolecularFormula | C21H15N3O2S |
| Smiles | O=C(c1ccccc1)N/N=C1\Sc(cccc2)c2N1C(c1ccccc1)=O |
| InChI | InChI=1S/C21H15N3O2S/c25-19(15-9-3-1-4-10-15)22-23-21-24(17-13-7-8-14-18(17)27-21)20(26)16-11-5-2-6-12-16/h1-14H,(H,22,25) |
| InChIK | AEMKROOECYIMMW-UHFFFAOYSA-N |
| TotalMolweight | 373.435 |
| Molweight | 373.435 |
| MonoisotopicMass | 373.088497 |
| CLogP | 4.1321 |
| CLogS | -6.226 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277 |
| Relative PSA | 0.25303 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 4.4496 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3-benzoyl-1,3-benzothiazol-2-ylidene)amino]benzamide | 2 - N-[(Z)-(3-benzoyl-1,3-benzothiazol-2-ylidene)amino]benzamide
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