4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C20H15N3O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C20H15N3O2S2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H15N3O2S2/c24-19(23-21-12-16-4-3-11-25-16)15-9-7-14(8-10-15)13-26-20-22-17-5-1-2-6-18(17)27-20/h1-12H,13H2,(H,23,24) |
| InChIK | XELAYVOQEXNTOT-UHFFFAOYSA-N |
| TotalMolweight | 393.49 |
| Molweight | 393.49 |
| MonoisotopicMass | 393.060567 |
| CLogP | 4.8536 |
| CLogS | -6.668 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.99 |
| Relative PSA | 0.33314 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 4.5194 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off