1-[6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3884 |
| Compound Name: | 1-[6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 491.43 |
| Molecular Formula: | C20 H19 Br N4 O2 S2 |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3ccc(s3)[Br])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1644 |
| logD: | 5.1644 |
| logSw: | -5.0487 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.657 |
| InChI Key: | QTRDKWXQSGZFCA-IBGZPJMESA-N |