4,5-diphenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C29H23N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4,5-diphenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4,5-diphenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C29H23N3OS |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 |
| InChI | InChI=1S/C29H23N3OS/c1-4-10-23(11-5-1)21-33-26-18-16-22(17-19-26)20-30-32-29-31-27(24-12-6-2-7-13-24)28(34-29)25-14-8-3-9-15-25/h1-20H,21H2,(H,31,32) |
| InChIK | HZDDQBOQHSQMHC-UHFFFAOYSA-N |
| TotalMolweight | 461.588 |
| Molweight | 461.588 |
| MonoisotopicMass | 461.156182 |
| CLogP | 9.4628 |
| CLogS | -8.108 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 366.98 |
| Relative PSA | 0.17521 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.4345 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - 4,5-diphenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4,5-diphenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
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