3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Chemical Structure Depiction of
3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Compound characteristics
| Compound ID: | 3555-0124 |
| Compound Name: | 3-(5-bromofuran-2-yl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline |
| Molecular Weight: | 404.26 |
| Molecular Formula: | C18 H18 Br N3 O3 |
| Smiles: | CC1(C)Cc2cc(c(cc2c2nnc(c3ccc(o3)[Br])n12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5867 |
| logD: | 3.5865 |
| logSw: | -3.7112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.287 |
| InChI Key: | RMKBZEQTCJMRRC-UHFFFAOYSA-N |