3-chloro-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C17H11N2O2ClF2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C17H11N2O2ClF2S |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C17H11ClF2N2O2S/c18-14-11-6-2-4-8-13(11)25-15(14)16(23)22-21-9-10-5-1-3-7-12(10)24-17(19)20/h1-9,17H,(H,22,23) |
| InChIK | QXHUOTWBIJQGSE-UHFFFAOYSA-N |
| TotalMolweight | 380.801 |
| Molweight | 380.801 |
| MonoisotopicMass | 380.019781 |
| CLogP | 4.8982 |
| CLogS | -6.428 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.15 |
| Relative PSA | 0.24751 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 2.72 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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