3-(methylsulfanyl)-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-(methylsulfanyl)-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-(methylsulfanyl)-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: | 2049-0201 |
| Compound Name: | 3-(methylsulfanyl)-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: | 422.59 |
| Molecular Formula: | C24 H30 N4 O S |
| Smiles: | CC1CC2=CCCC(C)(C)C2CC1C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6351 |
| logD: | 5.6351 |
| logSw: | -5.5905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.41 |
| InChI Key: | KPGCFRPIPJUWER-UHFFFAOYSA-N |