2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C22H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H17N3O3S |
| Smiles | O=C(CSc1nc(cccc2)c2o1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H17N3O3S/c26-21(15-29-22-24-19-11-4-5-12-20(19)28-22)25-23-14-16-7-6-10-18(13-16)27-17-8-2-1-3-9-17/h1-14H,15H2,(H,25,26) |
| InChIK | RDMNVGOBYVEFSC-UHFFFAOYSA-N |
| TotalMolweight | 403.461 |
| Molweight | 403.461 |
| MonoisotopicMass | 403.099062 |
| CLogP | 5.0639 |
| CLogS | -7.174 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.05 |
| Relative PSA | 0.28478 |
| PolarSurfaceArea | 102.02 |
| Druglikeness | 4.6908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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