N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Formula:C29H22N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine |
| MolecularFormula | C29H22N3OClS |
| Smiles | Clc1ccc(COc2ccc(/C=N\Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)cc2)cc1 |
| InChI | InChI=1S/C29H22ClN3OS/c30-25-15-11-22(12-16-25)20-34-26-17-13-21(14-18-26)19-31-33-29-32-27(23-7-3-1-4-8-23)28(35-29)24-9-5-2-6-10-24/h1-19H,20H2,(H,32,33) |
| InChIK | VQCFCCAEYVOOSY-UHFFFAOYSA-N |
| TotalMolweight | 496.033 |
| Molweight | 496.033 |
| MonoisotopicMass | 495.117209 |
| CLogP | 10.069 |
| CLogS | -8.844 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 382.4 |
| Relative PSA | 0.16815 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.4768 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
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