N-[(2R)-1-[(1,3-benzothiazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[(2R)-1-[(1,3-benzothiazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
N-[(2R)-1-[(1,3-benzothiazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | Y041-5089 |
| Compound Name: | N-[(2R)-1-[(1,3-benzothiazol-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | CSCC[C@H](C(Nc1nc2ccccc2s1)=O)NC(c1cc2ccccc2o1)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.3455 |
| logD: | 5.3454 |
| logSw: | -6.0216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.699 |
| InChI Key: | MMYGWPOPXCJLOW-HNNXBMFYSA-N |