| MolName | (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine |
| MolecularFormula | C28H33N4OClS |
| Smiles | Clc1cc(/C=N\N(C(c2ccc(C3CCCCC3)cc2)=CS2)/C2=N/CCN2CCOCC2)ccc1 |
| InChI | InChI=1S/C28H33ClN4OS/c29-26-8-4-5-22(19-26)20-31-33-27(21-35-28(33)30-13-14-32-15-17-34-18-16-32)25-11-9-24(10-12-25)23-6-2-1-3-7-23/h4-5,8-12,19-21,23H,1-3,6-7,13-18H2 |
| InChIK | PGEFQRKTLMCQLK-UHFFFAOYSA-N |
| TotalMolweight | 509.116 |
| Molweight | 509.116 |
| MonoisotopicMass | 508.206358 |
| CLogP | 6.4616 |
| CLogS | -6.465 |
| H Acceptors | 5 |
| TotalSurfaceArea | 392.33 |
| Relative PSA | 0.14684 |
| PolarSurfaceArea | 65.73 |
| Druglikeness | 0.91246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-(3-chlorophenyl)methylideneamino]-4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine