(Z)-4-(4-cyclohexylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
Formula:C38H38N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-cyclohexylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(4-cyclohexylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C38H38N4O4S2 |
| Smiles | O=S(c(cc1)ccc1/N=C1\SC=C(c2ccc(C3CCCCC3)cc2)N1/N=C\c(cc1)ccc1Oc1ccccc1)(N1CCOCC1)=O |
| InChI | InChI=1S/C38H38N4O4S2/c43-48(44,41-23-25-45-26-24-41)36-21-17-33(18-22-36)40-38-42(39-27-29-11-19-35(20-12-29)46-34-9-5-2-6-10-34)37(28-47-38)32-15-13-31(14-16-32)30-7-3-1-4-8-30/h2,5-6,9-22,27-28,30H,1,3-4,7-8,23-26H2 |
| InChIK | OSYRPHQUXSIGBN-UHFFFAOYSA-N |
| TotalMolweight | 678.876 |
| Molweight | 678.876 |
| MonoisotopicMass | 678.233446 |
| CLogP | 7.9393 |
| CLogS | -8.904 |
| H Acceptors | 8 |
| TotalSurfaceArea | 507.49 |
| Relative PSA | 0.18954 |
| PolarSurfaceArea | 117.48 |
| Druglikeness | -2.22 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47917 |
| Fragments | 1 |
| Non HAtoms | 48 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 14 |
| Symmetricatoms | 13 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(4-cyclohexylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-cyclohexylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
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