1-[3-(hexylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(hexylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(hexylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-5018 |
| Compound Name: | 1-[3-(hexylsulfanyl)-6-(pyridin-4-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: | CCCCCCSc1nc2c(c3ccccc3N(C(c3ccncc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6231 |
| logD: | 4.6231 |
| logSw: | -4.5996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.067 |
| InChI Key: | GMEIPBILFXFVSQ-QFIPXVFZSA-N |