N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C28H23N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C28H23N3O2S |
| Smiles | C(c1ccccc1)Oc(ccc(/C=N\Nc1nc(cccc2)c2s1)c1)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H23N3O2S/c1-3-9-21(10-4-1)19-32-25-16-15-23(17-26(25)33-20-22-11-5-2-6-12-22)18-29-31-28-30-24-13-7-8-14-27(24)34-28/h1-18H,19-20H2,(H,30,31) |
| InChIK | QGBPGRRSBLYQAI-UHFFFAOYSA-N |
| TotalMolweight | 465.576 |
| Molweight | 465.576 |
| MonoisotopicMass | 465.151097 |
| CLogP | 8.3395 |
| CLogS | -6.798 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.58 |
| Relative PSA | 0.20324 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | 2.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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