1-[3-(methylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[3-(methylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-4607 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(2-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCCOc1ccccc1C1N(C(CC)=O)c2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9319 |
| logD: | 4.9319 |
| logSw: | -4.6673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.148 |
| InChI Key: | RIKIEYLVIGBXOE-QFIPXVFZSA-N |