6,6-dimethyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6,6-dimethyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6,6-dimethyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 8008-4425 |
| Compound Name: | 6,6-dimethyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 302.4 |
| Molecular Formula: | C15 H18 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(C)(C)O2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.594 |
| logD: | 3.594 |
| logSw: | -3.7895 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.203 |
| InChI Key: | AURMSZORSNTLKN-UHFFFAOYSA-N |