(E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Formula:C26H18N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide |
| MolecularFormula | C26H18N3O2Cl3S |
| Smiles | N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(cc(cc1)Cl)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C26H18Cl3N3O2S/c27-18-7-8-23(34-14-15-5-6-19(28)11-22(15)29)16(10-18)9-17(12-30)25(33)32-26-21(13-31)20-3-1-2-4-24(20)35-26/h5-11H,1-4,14H2,(H,32,33) |
| InChIK | LKMSTWWVOGYKOX-UHFFFAOYSA-N |
| TotalMolweight | 542.873 |
| Molweight | 542.873 |
| MonoisotopicMass | 541.018528 |
| CLogP | 7.203 |
| CLogS | -9.344 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 397.62 |
| Relative PSA | 0.20618 |
| PolarSurfaceArea | 114.15 |
| Druglikeness | -5.3111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
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