3-(benzylsulfanyl)-6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3471 |
| Compound Name: | 3-(benzylsulfanyl)-6-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C30 H34 N4 O S |
| Smiles: | CC1CC(CCC=C(C)C)=CCC1C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4846 |
| logD: | 7.4846 |
| logSw: | -5.8222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.218 |
| InChI Key: | NJHGFUBJZKCARS-UHFFFAOYSA-N |