[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Chemical Structure Depiction of
[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Compound characteristics
Compound ID: | 6188-0231 |
Compound Name: | [10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone |
Molecular Weight: | 473.35 |
Molecular Formula: | C20 H17 Br N4 O3 S |
Smiles: | CCSc1nc2c(c3cc(ccc3NC(C(c3ccc(cc3)OC)=O)O2)[Br])nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5091 |
logD: | 4.5089 |
logSw: | -4.3546 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.58 |
InChI Key: | AXZBUDAOFNUKID-LJQANCHMSA-N |