2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 4778-0065 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C20 H17 N5 O4 S2 |
| Smiles: | Cc1ccnc(NS(c2ccc(cc2)NC(CSc2nc3ccccc3o2)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9603 |
| logD: | 2.3485 |
| logSw: | -3.45 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.373 |
| InChI Key: | SIMIERJGSLRBGB-UHFFFAOYSA-N |