ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
Formula:C18H22N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate |
| MolecularFormula | C18H22N2O5S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2ccco2)=O)s1)=O |
| InChI | InChI=1S/C18H22N2O5S/c1-5-20(6-2)17(22)14-11(4)13(18(23)24-7-3)16(26-14)19-15(21)12-9-8-10-25-12/h8-10H,5-7H2,1-4H3,(H,19,21) |
| InChIK | KMFSIPMVMZIDPW-UHFFFAOYSA-N |
| TotalMolweight | 378.448 |
| Molweight | 378.448 |
| MonoisotopicMass | 378.124943 |
| CLogP | 3.2331 |
| CLogS | -3.998 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.98 |
| Relative PSA | 0.3354 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 2.6706 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
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