N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H16N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H16N3OClS |
| Smiles | Clc1cc(COc2c(/C=N\Nc3nc(cccc4)c4s3)cccc2)ccc1 |
| InChI | InChI=1S/C21H16ClN3OS/c22-17-8-5-6-15(12-17)14-26-19-10-3-1-7-16(19)13-23-25-21-24-18-9-2-4-11-20(18)27-21/h1-13H,14H2,(H,24,25) |
| InChIK | JNHJOLSJFDBEFI-UHFFFAOYSA-N |
| TotalMolweight | 393.897 |
| Molweight | 393.897 |
| MonoisotopicMass | 393.070259 |
| CLogP | 7.5974 |
| CLogS | -6.193 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.48 |
| Relative PSA | 0.21615 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.0929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off