N-[(2R)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(2R)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
N-[(2R)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | Y043-0118 |
| Compound Name: | N-[(2R)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CSCC[C@H](C(Nc1nc2ccccc2[nH]1)=O)NC(c1cc2ccccc2o1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8905 |
| logD: | 3.8904 |
| logSw: | -4.0416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.363 |
| InChI Key: | GUDUBGGNMWQXMM-INIZCTEOSA-N |