1-[6-(2-butoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2-butoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2-butoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-4572 |
| Compound Name: | 1-[6-(2-butoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCCCOc1ccccc1C1N(C(CC)=O)c2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4048 |
| logD: | 5.4048 |
| logSw: | -5.4151 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.148 |
| InChI Key: | KIKDWUZUCPFLSC-QHCPKHFHSA-N |