N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H17N3OS |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2nc(cccc3)c3s2)cc1 |
| InChI | InChI=1S/C21H17N3OS/c1-2-6-17(7-3-1)15-25-18-12-10-16(11-13-18)14-22-24-21-23-19-8-4-5-9-20(19)26-21/h1-14H,15H2,(H,23,24) |
| InChIK | KJUWNZFNIQHUBN-UHFFFAOYSA-N |
| TotalMolweight | 359.452 |
| Molweight | 359.452 |
| MonoisotopicMass | 359.109232 |
| CLogP | 6.9914 |
| CLogS | -5.457 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.06 |
| Relative PSA | 0.22797 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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