ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Formula:C18H21N2O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate |
| MolecularFormula | C18H21N2O5BrS |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(o2)ccc2Br)=O)s1)=O |
| InChI | InChI=1S/C18H21BrN2O5S/c1-5-21(6-2)17(23)14-10(4)13(18(24)25-7-3)16(27-14)20-15(22)11-8-9-12(19)26-11/h8-9H,5-7H2,1-4H3,(H,20,22) |
| InChIK | YDSRBKFFMAYOMR-UHFFFAOYSA-N |
| TotalMolweight | 457.344 |
| Molweight | 457.344 |
| MonoisotopicMass | 456.035454 |
| CLogP | 4.0557 |
| CLogS | -4.595 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.61 |
| Relative PSA | 0.31541 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 0.24625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[(5-bromofuran-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
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