3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate
Chemical Structure Depiction of
3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate
3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate
Compound characteristics
Compound ID: | 4896-3852 |
Compound Name: | 3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate |
Molecular Weight: | 543.44 |
Molecular Formula: | C24 H23 Br N4 O4 S |
Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cc(ccc3[Br])OC(C)=O)O2)C(C)=O)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7709 |
logD: | 4.7709 |
logSw: | -4.7032 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.39 |
InChI Key: | WGGTWRFSMXLXQQ-QHCPKHFHSA-N |