ethyl 5-(diethylcarbamoyl)-2-[(3,5-difluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Formula:C20H22N2O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 5-(diethylcarbamoyl)-2-[(3,5-difluorobenzoyl)amino]-4-methylthiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 5-(diethylcarbamoyl)-2-[(3,5-difluorobenzoyl)amino]-4-methylthiophene-3-carboxylate |
| MolecularFormula | C20H22N2O4F2S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2cc(F)cc(F)c2)=O)s1)=O |
| InChI | InChI=1S/C20H22F2N2O4S/c1-5-24(6-2)19(26)16-11(4)15(20(27)28-7-3)18(29-16)23-17(25)12-8-13(21)10-14(22)9-12/h8-10H,5-7H2,1-4H3,(H,23,25) |
| InChIK | PRVWPERMVYJDML-UHFFFAOYSA-N |
| TotalMolweight | 424.467 |
| Molweight | 424.467 |
| MonoisotopicMass | 424.126834 |
| CLogP | 4.246 |
| CLogS | -4.944 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.99 |
| Relative PSA | 0.26654 |
| PolarSurfaceArea | 103.95 |
| Druglikeness | 1.1784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 5-(diethylcarbamoyl)-2-[(3,5-difluorobenzoyl)amino]-4-methylthiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-2-[(3,5-difluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
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