N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(1-hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl)oxy]-N-methylacetamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(1-hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl)oxy]-N-methylacetamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(1-hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl)oxy]-N-methylacetamide
Compound characteristics
| Compound ID: | Y040-3381 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(1-hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl)oxy]-N-methylacetamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C21 H21 N O8 S |
| Smiles: | CN(C1CCS(C1)(=O)=O)C(COc1cc(c2C(c3cc(ccc3Oc2c1)OC)=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1824 |
| logD: | 1.1823 |
| logSw: | -2.5328 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.901 |
| InChI Key: | MDCGAKPOMHEMDI-GFCCVEGCSA-N |