N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C20H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C20H15N3OS |
| Smiles | C(c1cc(Oc2ccccc2)ccc1)=N/Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C20H15N3OS/c1-2-8-16(9-3-1)24-17-10-6-7-15(13-17)14-21-23-20-22-18-11-4-5-12-19(18)25-20/h1-14H,(H,22,23) |
| InChIK | UHEFCPUYMNTBLP-UHFFFAOYSA-N |
| TotalMolweight | 345.425 |
| Molweight | 345.425 |
| MonoisotopicMass | 345.093582 |
| CLogP | 7.0389 |
| CLogS | -6.413 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.3 |
| Relative PSA | 0.23966 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.3558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
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