2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H19N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H19N3O2S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H19N3O2S2/c27-22(16-29-23-25-19-11-5-7-13-21(19)30-23)26-24-14-18-10-4-6-12-20(18)28-15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,26,27) |
| InChIK | AISRMQDFRIXIQP-UHFFFAOYSA-N |
| TotalMolweight | 433.555 |
| Molweight | 433.555 |
| MonoisotopicMass | 433.091867 |
| CLogP | 5.2644 |
| CLogS | -6.44 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.06 |
| Relative PSA | 0.28644 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 4.4451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| 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 | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off