3-(hexylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(hexylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(hexylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2667 |
| Compound Name: | 3-(hexylsulfanyl)-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 344.48 |
| Molecular Formula: | C18 H24 N4 O S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(C)(C)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.4548 |
| logD: | 5.4548 |
| logSw: | -5.3844 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.203 |
| InChI Key: | JFLRKXOFBHNXLJ-UHFFFAOYSA-N |