| MolName | ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate |
| MolecularFormula | C24H27N3O5S |
| Smiles | CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c2c(C)onc2-c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C24H27N3O5S/c1-6-27(7-2)23(29)20-14(4)17(24(30)31-8-3)22(33-20)25-21(28)18-15(5)32-26-19(18)16-12-10-9-11-13-16/h9-13H,6-8H2,1-5H3,(H,25,28) |
| InChIK | CTQYOSVMYMBINZ-UHFFFAOYSA-N |
| TotalMolweight | 469.56 |
| Molweight | 469.56 |
| MonoisotopicMass | 469.167142 |
| CLogP | 4.6028 |
| CLogS | -5.559 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 364.76 |
| Relative PSA | 0.30039 |
| PolarSurfaceArea | 129.98 |
| Druglikeness | 2.8885 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate | 2 - ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate