N-benzyl-2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C30H25N2O2BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-benzyl-2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C30H25N2O2BrCl2S |
| Smiles | O=C(c1c(/N=C\c(cc2)cc(Br)c2OCc(ccc(Cl)c2)c2Cl)sc2c1CCCC2)NCc1ccccc1 |
| InChI | InChI=1S/C30H25BrCl2N2O2S/c31-24-14-20(10-13-26(24)37-18-21-11-12-22(32)15-25(21)33)17-35-30-28(23-8-4-5-9-27(23)38-30)29(36)34-16-19-6-2-1-3-7-19/h1-3,6-7,10-15,17H,4-5,8-9,16,18H2,(H,34,36) |
| InChIK | OCBULJYUQXWZOA-UHFFFAOYSA-N |
| TotalMolweight | 628.417 |
| Molweight | 628.417 |
| MonoisotopicMass | 626.019713 |
| CLogP | 8.3886 |
| CLogS | -9.385 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 430.98 |
| Relative PSA | 0.154 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | -2.1058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-benzyl-2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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