3-(4-chlorophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Chemical Structure Depiction of
3-(4-chlorophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
3-(4-chlorophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Compound characteristics
| Compound ID: | 3555-0172 |
| Compound Name: | 3-(4-chlorophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline |
| Molecular Weight: | 369.85 |
| Molecular Formula: | C20 H20 Cl N3 O2 |
| Smiles: | CC1(C)Cc2cc(c(cc2c2nnc(c3ccc(cc3)[Cl])n12)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3796 |
| logD: | 4.3796 |
| logSw: | -4.6738 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.362 |
| InChI Key: | WKSWRLYDTDYEQX-UHFFFAOYSA-N |