3-(butylsulfanyl)-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1796 |
| Compound Name: | 3-(butylsulfanyl)-6-(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 464.67 |
| Molecular Formula: | C27 H36 N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(C3CC4C(CC3C)=CCCC4(C)C)O2)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0528 |
| logD: | 7.0528 |
| logSw: | -5.8506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.41 |
| InChI Key: | FPKKCOFAXQYIMC-UHFFFAOYSA-N |