1-[6-(4-butoxyphenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-butoxyphenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(4-butoxyphenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-3817 |
| Compound Name: | 1-[6-(4-butoxyphenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C24 H25 F N4 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C1N(C(C)=O)c2ccc(cc2c2c(nc(nn2)SCC)O1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3308 |
| logD: | 5.3308 |
| logSw: | -5.3775 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.057 |
| InChI Key: | HUDDJVDKOTVSSR-QHCPKHFHSA-N |