N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
Formula:C22H16N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C22H16N3OClS |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c(cc3)ccc3Oc3ccccc3)cs2)cc1 |
| InChI | InChI=1S/C22H16ClN3OS/c23-18-10-6-16(7-11-18)14-24-26-22-25-21(15-28-22)17-8-12-20(13-9-17)27-19-4-2-1-3-5-19/h1-15H,(H,25,26) |
| InChIK | XOJOPEGZFWUWDA-UHFFFAOYSA-N |
| TotalMolweight | 405.908 |
| Molweight | 405.908 |
| MonoisotopicMass | 405.070259 |
| CLogP | 8.218 |
| CLogS | -7.693 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 308.88 |
| Relative PSA | 0.20817 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.8153 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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