6-ethyl-6-methyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-ethyl-6-methyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-ethyl-6-methyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 8008-4424 |
| Compound Name: | 6-ethyl-6-methyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 316.42 |
| Molecular Formula: | C16 H20 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(C)(CC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9917 |
| logD: | 3.9917 |
| logSw: | -4.1983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.005 |
| InChI Key: | LRULYHKIYITHMQ-INIZCTEOSA-N |