1-[6-(4-methoxy-3-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-methoxy-3-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(4-methoxy-3-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4383 |
| Compound Name: | 1-[6-(4-methoxy-3-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3ccc(c(C)c3)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7494 |
| logD: | 5.7494 |
| logSw: | -5.3933 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.27 |
| InChI Key: | RTVDWTQLUXSLQS-DEOSSOPVSA-N |