N-[(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)ethylideneamino]benzamide
Formula:C16H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)ethylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)ethylideneamino]benzamide |
| MolecularFormula | C16H13N3O2S |
| Smiles | O=C(c1ccccc1)N/N=C\CSc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C16H13N3O2S/c20-15(12-6-2-1-3-7-12)19-17-10-11-22-16-18-13-8-4-5-9-14(13)21-16/h1-10H,11H2,(H,19,20) |
| InChIK | VOFUBUSRRUPWEJ-UHFFFAOYSA-N |
| TotalMolweight | 311.364 |
| Molweight | 311.364 |
| MonoisotopicMass | 311.072847 |
| CLogP | 3.3574 |
| CLogS | -4.799 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.29 |
| Relative PSA | 0.32567 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 4.603 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)ethylideneamino]benzamide | 2 - N-[(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)ethylideneamino]benzamide
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