4-phenyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C23H19N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-phenyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C23H19N3OS |
| Smiles | C(c1ccccc1)Oc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1 |
| InChI | InChI=1S/C23H19N3OS/c1-3-8-18(9-4-1)16-27-21-13-7-10-19(14-21)15-24-26-23-25-22(17-28-23)20-11-5-2-6-12-20/h1-15,17H,16H2,(H,25,26) |
| InChIK | MRZREOZKKIJMBM-UHFFFAOYSA-N |
| TotalMolweight | 385.49 |
| Molweight | 385.49 |
| MonoisotopicMass | 385.124882 |
| CLogP | 7.5645 |
| CLogS | -6.001 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.22 |
| Relative PSA | 0.2093 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.5105 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-phenyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-phenyl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
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