N-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzamide
Formula:C18H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C18H14N3O2ClS |
| Smiles | O=C(c1ccccc1)N/N=C\C(SC(N1Cc2ccccc2)=O)=C1Cl |
| InChI | InChI=1S/C18H14ClN3O2S/c19-16-15(11-20-21-17(23)14-9-5-2-6-10-14)25-18(24)22(16)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,21,23) |
| InChIK | OZTJDONCBYPGSC-UHFFFAOYSA-N |
| TotalMolweight | 371.847 |
| Molweight | 371.847 |
| MonoisotopicMass | 371.049524 |
| CLogP | 3.5719 |
| CLogS | -5.328 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.13 |
| Relative PSA | 0.25851 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 7.4315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| 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-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzamide | 2 - N-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzamide
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