N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C20H16N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C20H16N2O2Cl2S |
| Smiles | O=C(c1csc2c1CCCC2)N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H16Cl2N2O2S/c21-12-5-7-17(22)15(9-12)18-8-6-13(26-18)10-23-24-20(25)16-11-27-19-4-2-1-3-14(16)19/h5-11H,1-4H2,(H,24,25) |
| InChIK | IOSQMKPRDOQYJL-UHFFFAOYSA-N |
| TotalMolweight | 419.331 |
| Molweight | 419.331 |
| MonoisotopicMass | 418.030952 |
| CLogP | 6.3759 |
| CLogS | -7.755 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.76 |
| Relative PSA | 0.23126 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 3.1234 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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