2-[(Z)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C29H30N2O2BrFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | 2-[(Z)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C29H30N2O2BrFS |
| Smiles | O=C(c1c(/N=C\c(cc(cc2)Br)c2OCc(cccc2)c2F)sc2c1CCCC2)NC1CCCCC1 |
| InChI | InChI=1S/C29H30BrFN2O2S/c30-21-14-15-25(35-18-19-8-4-6-12-24(19)31)20(16-21)17-32-29-27(23-11-5-7-13-26(23)36-29)28(34)33-22-9-2-1-3-10-22/h4,6,8,12,14-17,22H,1-3,5,7,9-11,13,18H2,(H,33,34) |
| InChIK | IFZWCJGLIZJBHH-UHFFFAOYSA-N |
| TotalMolweight | 569.537 |
| Molweight | 569.537 |
| MonoisotopicMass | 568.119537 |
| CLogP | 7.415 |
| CLogS | -8.478 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 400.77 |
| Relative PSA | 0.16561 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | -2.9751 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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