2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H19N3O3S |
| Smiles | O=C(CSc1nc(cccc2)c2o1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H19N3O3S/c27-22(16-30-23-25-20-8-4-5-9-21(20)29-23)26-24-14-17-10-12-19(13-11-17)28-15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,26,27) |
| InChIK | PLQNKJARVFZMDI-UHFFFAOYSA-N |
| TotalMolweight | 417.488 |
| Molweight | 417.488 |
| MonoisotopicMass | 417.114712 |
| CLogP | 5.0164 |
| CLogS | -6.218 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.81 |
| Relative PSA | 0.27271 |
| PolarSurfaceArea | 102.02 |
| Druglikeness | 4.4451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off