1-[3-(butylsulfanyl)-8,10-dimethyl-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-8,10-dimethyl-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-8,10-dimethyl-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2203 |
| Compound Name: | 1-[3-(butylsulfanyl)-8,10-dimethyl-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)cc(C)c3N(C(c3cccnc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6437 |
| logD: | 4.6433 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.314 |
| InChI Key: | UYUNHINIAGYGEE-QFIPXVFZSA-N |