1-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
1-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
1-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8012-3614 |
| Compound Name: | 1-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 420.3 |
| Molecular Formula: | C20 H22 Br N O4 |
| Smiles: | CCOc1cc2CCNC(c2cc1OCC)c1cc2c(cc1[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8275 |
| logD: | -0.0822 |
| logSw: | -3.0539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.694 |
| InChI Key: | IFETVFFAKLWDOT-HXUWFJFHSA-N |