1-[3-(pentylsulfanyl)-6-(2-phenylethenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(pentylsulfanyl)-6-(2-phenylethenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(pentylsulfanyl)-6-(2-phenylethenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6753-0110 |
| Compound Name: | 1-[3-(pentylsulfanyl)-6-(2-phenylethenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(/C=C/c3ccccc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0018 |
| logD: | 6.0018 |
| logSw: | -5.4777 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.834 |
| InChI Key: | BJDDEHLVVCDZGN-QFIPXVFZSA-N |