6-(benzylsulfanyl)-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline
Chemical Structure Depiction of
6-(benzylsulfanyl)-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline
6-(benzylsulfanyl)-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline
Compound characteristics
| Compound ID: | 7174-0047 |
| Compound Name: | 6-(benzylsulfanyl)-8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinoline |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C20 H21 N O2 S |
| Smiles: | CC1(C)Cc2cc3c(cc2C(=N1)SCc1ccccc1)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 3.3336 |
| logD: | 3.2518 |
| logSw: | -3.5943 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.0817 |
| InChI Key: | NGMSSYNFHBEZEI-UHFFFAOYSA-N |