2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl methanesulfonate
Chemical Structure Depiction of
2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl methanesulfonate
2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl methanesulfonate
Compound characteristics
| Compound ID: | 0672-0371 |
| Compound Name: | 2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]ethyl methanesulfonate |
| Molecular Weight: | 311.31 |
| Molecular Formula: | C13 H13 N O6 S |
| Smiles: | CS(=O)(=O)OCCNC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2267 |
| logD: | 0.2267 |
| logSw: | -2.1041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.081 |
| InChI Key: | ZLJLJHLDWPGHSN-UHFFFAOYSA-N |