3-(butylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1953 |
| Compound Name: | 3-(butylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)OCC=C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5799 |
| logD: | 5.5799 |
| logSw: | -5.5683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.715 |
| InChI Key: | JHQBMRMRQDWAQV-NRFANRHFSA-N |