N-[(2RS)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[(2RS)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[(2RS)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | Y041-5161 |
| Compound Name: | N-[(2RS)-1-[(1H-benzimidazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CSCC[C@H](C(Nc1nc2ccccc2[nH]1)=O)NC(C1COc2ccccc2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8459 |
| logD: | 2.8458 |
| logSw: | -3.4556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.507 |
| InChI Key: | UREICCCUUVWLGW-BUSXIPJBSA-N |