N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C25H19N3OS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C25H19N3OS |
| Smiles | C(c1cccc2ccccc12)Oc1ccc(/C=N\Nc2nc(cccc3)c3s2)cc1 |
| InChI | InChI=1S/C25H19N3OS/c1-2-9-22-19(6-1)7-5-8-20(22)17-29-21-14-12-18(13-15-21)16-26-28-25-27-23-10-3-4-11-24(23)30-25/h1-16H,17H2,(H,27,28) |
| InChIK | DWKYLOHXKYZIPF-UHFFFAOYSA-N |
| TotalMolweight | 409.512 |
| Molweight | 409.512 |
| MonoisotopicMass | 409.124882 |
| CLogP | 8.1858 |
| CLogS | -7.063 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.66 |
| Relative PSA | 0.20306 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.0416 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off