N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y041-5999 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C21 H25 N O7 S |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(NC1CCS(C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5592 |
| logD: | 1.5592 |
| logSw: | -2.183 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.611 |
| InChI Key: | VMSZULJGGDPUEA-CYBMUJFWSA-N |