N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
Compound characteristics
| Compound ID: | Y041-6000 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C22 H27 N O6 S |
| Smiles: | CC1=C(CCC(NC2CCS(C2)(=O)=O)=O)C(=O)Oc2cc3c(CCC(C)(C)O3)cc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2777 |
| logD: | 2.2777 |
| logSw: | -2.6376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.855 |
| InChI Key: | JHFLIZBZAZEBEU-OAHLLOKOSA-N |