N-[(Z)-(2-chlorophenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide
Formula:C21H15N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide |
| MolecularFormula | C21H15N4ClS |
| Smiles | Clc1c(/C=N\N/C(/c2nc(cccc3)c3s2)=N\c2ccccc2)cccc1 |
| InChI | InChI=1S/C21H15ClN4S/c22-17-11-5-4-8-15(17)14-23-26-20(24-16-9-2-1-3-10-16)21-25-18-12-6-7-13-19(18)27-21/h1-14H,(H,24,26) |
| InChIK | RREGHGDWKYJODD-UHFFFAOYSA-N |
| TotalMolweight | 390.897 |
| Molweight | 390.897 |
| MonoisotopicMass | 390.070593 |
| CLogP | 5.2553 |
| CLogS | -5.939 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.69 |
| Relative PSA | 0.22181 |
| PolarSurfaceArea | 77.88 |
| Druglikeness | 3.6337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off