5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Chemical Structure Depiction of
5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Compound characteristics
| Compound ID: | 4459-0080 |
| Compound Name: | 5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C18 H16 N4 O2 |
| Smiles: | CC1(C)Cc2ccccc2c2nnc(c3ccccc3[N+]([O-])=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.2709 |
| logD: | 3.2709 |
| logSw: | -3.8021 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.181 |
| InChI Key: | UFRKHATYXVKTCI-UHFFFAOYSA-N |