2-ethyl-5,6-dihydroxy-7-methoxyisoquinoline-1,3,4(2H)-trione
Chemical Structure Depiction of
2-ethyl-5,6-dihydroxy-7-methoxyisoquinoline-1,3,4(2H)-trione
2-ethyl-5,6-dihydroxy-7-methoxyisoquinoline-1,3,4(2H)-trione
Compound characteristics
| Compound ID: | 8020-5924 |
| Compound Name: | 2-ethyl-5,6-dihydroxy-7-methoxyisoquinoline-1,3,4(2H)-trione |
| Molecular Weight: | 265.22 |
| Molecular Formula: | C12 H11 N O6 |
| Smiles: | CCN1C(C(c2c(cc(c(c2O)O)OC)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.683 |
| logD: | -0.1754 |
| logSw: | -1.8096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.857 |
| InChI Key: | ZAJJYRAMSFNNLV-UHFFFAOYSA-N |