6-ethyl-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline--2,4,6-trinitrophenol (1/1)
Chemical Structure Depiction of
6-ethyl-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline--2,4,6-trinitrophenol (1/1)
6-ethyl-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline--2,4,6-trinitrophenol (1/1)
Compound characteristics
| Compound ID: | 8016-6464 |
| Compound Name: | 6-ethyl-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline--2,4,6-trinitrophenol (1/1) |
| Molecular Weight: | 474.43 |
| Molecular Formula: | C15 H19 N O2 |
| Salt: | C6H2(NO2)3OH |
| Smiles: | CCC1c2cc3c(cc2CC(C)(C)N=1)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 2.2748 |
| logD: | 1.5816 |
| logSw: | -2.3096 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.8374 |
| InChI Key: | RWSJCXGAMOKVDL-UHFFFAOYSA-N |