N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
Formula:C17H12N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C17H12N3O2ClS |
| Smiles | O=C(c1ccccc1)N/N=C\C(SC(N1c2ccccc2)=O)=C1Cl |
| InChI | InChI=1S/C17H12ClN3O2S/c18-15-14(11-19-20-16(22)12-7-3-1-4-8-12)24-17(23)21(15)13-9-5-2-6-10-13/h1-11H,(H,20,22) |
| InChIK | YXBDDLODXDRUNS-UHFFFAOYSA-N |
| TotalMolweight | 357.82 |
| Molweight | 357.82 |
| MonoisotopicMass | 357.033874 |
| CLogP | 3.649 |
| CLogS | -5.85 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 257.37 |
| Relative PSA | 0.27233 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 6.4859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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