2-[(Z)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C30H30N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | 2-[(Z)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C30H30N3O2ClS |
| Smiles | N#Cc1ccc(COc(cc2)c(/C=N\c3c(C(NC4CCCCC4)=O)c(CCCC4)c4s3)cc2Cl)cc1 |
| InChI | InChI=1S/C30H30ClN3O2S/c31-23-14-15-26(36-19-21-12-10-20(17-32)11-13-21)22(16-23)18-33-30-28(25-8-4-5-9-27(25)37-30)29(35)34-24-6-2-1-3-7-24/h10-16,18,24H,1-9,19H2,(H,34,35) |
| InChIK | GJECBETZNPUZLM-UHFFFAOYSA-N |
| TotalMolweight | 532.106 |
| Molweight | 532.106 |
| MonoisotopicMass | 531.174724 |
| CLogP | 7.0306 |
| CLogS | -8.839 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 412.92 |
| Relative PSA | 0.19357 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -4.0711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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