4,5-dimethyl-N-[(Z)-(3-propoxyphenyl)methylideneamino]thiophene-3-carboxamide
Formula:C17H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4,5-dimethyl-N-[(Z)-(3-propoxyphenyl)methylideneamino]thiophene-3-carboxamide is a drug-like molecule.
| MolName | 4,5-dimethyl-N-[(Z)-(3-propoxyphenyl)methylideneamino]thiophene-3-carboxamide |
| MolecularFormula | C17H20N2O2S |
| Smiles | CCCOc1cccc(/C=N\NC(c2csc(C)c2C)=O)c1 |
| InChI | InChI=1S/C17H20N2O2S/c1-4-8-21-15-7-5-6-14(9-15)10-18-19-17(20)16-11-22-13(3)12(16)2/h5-7,9-11H,4,8H2,1-3H3,(H,19,20) |
| InChIK | XWCWDZBGLWOYHU-UHFFFAOYSA-N |
| TotalMolweight | 316.424 |
| Molweight | 316.424 |
| MonoisotopicMass | 316.124548 |
| CLogP | 4.5467 |
| CLogS | -5.007 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.23 |
| Relative PSA | 0.25802 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 3.6936 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| StereoCon |
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