5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | D068-0250 |
| Compound Name: | 5-bromo-3-(6,6-dimethyl-4-oxooxan-3-yl)-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 382.25 |
| Molecular Formula: | C17 H20 Br N O4 |
| Smiles: | CCN1C(C(C2COC(C)(C)CC2=O)(c2cc(ccc12)[Br])O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5766 |
| logD: | 2.5766 |
| logSw: | -2.837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.462 |
| InChI Key: | BSANPMWTBSSPPB-UHFFFAOYSA-N |