N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C16H11N3O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H11N3O2F4S |
| Smiles | FC(Oc1cc(OC(F)F)c(/C=N\Nc2nc(cccc3)c3s2)cc1)F |
| InChI | InChI=1S/C16H11F4N3O2S/c17-14(18)24-10-6-5-9(12(7-10)25-15(19)20)8-21-23-16-22-11-3-1-2-4-13(11)26-16/h1-8,14-15H,(H,22,23) |
| InChIK | LDCRJSVCSYQKEG-UHFFFAOYSA-N |
| TotalMolweight | 385.34 |
| Molweight | 385.34 |
| MonoisotopicMass | 385.050809 |
| CLogP | 5.9821 |
| CLogS | -5.36 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.94 |
| Relative PSA | 0.27627 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -0.37978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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