2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Compound characteristics
| Compound ID: | Y044-4695 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide |
| Molecular Weight: | 313.37 |
| Molecular Formula: | C14 H19 N O5 S |
| Smiles: | CSCC[C@@H](CO)NC(COc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2522 |
| logD: | 1.2522 |
| logSw: | -2.1702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.348 |
| InChI Key: | XZBQSCMCXVOLAI-JTQLQIEISA-N |