N-[(2R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(2R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
N-[(2R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | Y041-5119 |
| Compound Name: | N-[(2R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CSCC[C@H](C(Nc1ccc2c(c1)OCCO2)=O)NC(c1cc2ccccc2o1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.37 |
| logD: | 3.37 |
| logSw: | -3.7442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.761 |
| InChI Key: | BFPWSFSFFBTRNW-MRXNPFEDSA-N |