3-(hexylsulfanyl)-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(hexylsulfanyl)-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(hexylsulfanyl)-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2748 |
| Compound Name: | 3-(hexylsulfanyl)-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9408 |
| logD: | 4.9408 |
| logSw: | -4.6689 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.116 |
| InChI Key: | ISSXLKGOHYHCEL-LBPRGKRZSA-N |