8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Chemical Structure Depiction of
8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Compound characteristics
| Compound ID: | 3555-0164 |
| Compound Name: | 8,9-dimethoxy-5,5-dimethyl-3-(thiophen-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C18 H19 N3 O2 S |
| Smiles: | CC1(C)Cc2cc(c(cc2c2nnc(c3cccs3)n12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5053 |
| logD: | 3.504 |
| logSw: | -3.6871 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.38 |
| InChI Key: | IONTWORZCRVBQQ-UHFFFAOYSA-N |