1-[6-ethyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-ethyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-ethyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6753-0839 |
| Compound Name: | 1-[6-ethyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 372.49 |
| Molecular Formula: | C19 H24 N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(CC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5511 |
| logD: | 4.5511 |
| logSw: | -4.5841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.105 |
| InChI Key: | UDIIVZMCQGPROU-INIZCTEOSA-N |