3-(diethylamino)-N,N-diethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-7-carboxamide
Formula:C21H28N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(diethylamino)-N,N-diethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-7-carboxamide is a drug-like molecule.
| MolName | 3-(diethylamino)-N,N-diethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-7-carboxamide |
| MolecularFormula | C21H28N2O3 |
| Smiles | CCN(CC)C(c1c(C)oc(cc23)c1cc3oc(C)c2N(CC)CC)=O |
| InChI | InChI=1S/C21H28N2O3/c1-7-22(8-2)20-14(6)26-18-11-15-17(12-16(18)20)25-13(5)19(15)21(24)23(9-3)10-4/h11-12H,7-10H2,1-6H3 |
| InChIK | KBCKCTHUTSDPHD-UHFFFAOYSA-N |
| TotalMolweight | 356.464 |
| Molweight | 356.464 |
| MonoisotopicMass | 356.209993 |
| CLogP | 4.5855 |
| CLogS | -5.549 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.79 |
| Relative PSA | 0.16746 |
| PolarSurfaceArea | 49.83 |
| Druglikeness | 2.5862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 3-(diethylamino)-N,N-diethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-7-carboxamide | 2 - 3-(diethylamino)-N,N-diethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-7-carboxamide
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