1-[3-(pentylsulfanyl)-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-(pentylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(pentylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4451 |
| Compound Name: | 1-[3-(pentylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3cccnc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0907 |
| logD: | 4.0903 |
| logSw: | -4.1365 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.157 |
| InChI Key: | UQRBZNCMODVUDC-NRFANRHFSA-N |