N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide
Formula:C21H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide |
| MolecularFormula | C21H14N4O3S2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccccc1)=O)cc1)c1Sc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C21H14N4O3S2/c26-20(15-6-2-1-3-7-15)24-22-13-14-10-11-19(17(12-14)25(27)28)30-21-23-16-8-4-5-9-18(16)29-21/h1-13H,(H,24,26) |
| InChIK | QHVBZBDSSYDSBD-UHFFFAOYSA-N |
| TotalMolweight | 434.499 |
| Molweight | 434.499 |
| MonoisotopicMass | 434.050731 |
| CLogP | 4.603 |
| CLogS | -6.803 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 317.21 |
| Relative PSA | 0.36332 |
| PolarSurfaceArea | 153.71 |
| Druglikeness | -0.51165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide | 2 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off