1-[10-chloro-6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-chloro-6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4701 |
| Compound Name: | 1-[10-chloro-6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 472.95 |
| Molecular Formula: | C22 H21 Cl N4 O4 S |
| Smiles: | CCOc1ccc(cc1OC)C1N(C(C)=O)c2ccc(cc2c2c(nc(nn2)SC)O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9314 |
| logD: | 3.9314 |
| logSw: | -4.5073 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.48 |
| InChI Key: | ZRHOLGRVSNBLRD-OAQYLSRUSA-N |