(Z)-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-3-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-thiazol-2-imine
Formula:C27H25N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-3-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-3-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C27H25N3OS |
| Smiles | C([C@H]1OCCC1)/N=C1\SC=C(c2ccccc2)N1/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C27H25N3OS/c1-3-8-22(9-4-1)23-15-13-21(14-16-23)18-29-30-26(24-10-5-2-6-11-24)20-32-27(30)28-19-25-12-7-17-31-25/h1-6,8-11,13-16,18,20,25H,7,12,17,19H2/t25-/m0/s1 |
| InChIK | IXAWCLZQZXUWLP-VWLOTQADSA-N |
| TotalMolweight | 439.582 |
| Molweight | 439.582 |
| MonoisotopicMass | 439.171832 |
| CLogP | 6.009 |
| CLogS | -7.243 |
| H Acceptors | 4 |
| TotalSurfaceArea | 343.55 |
| Relative PSA | 0.15736 |
| PolarSurfaceArea | 62.49 |
| Druglikeness | 2.9464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (Z)-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-3-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-3-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-thiazol-2-imine
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