2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-iodophenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-iodophenyl acetate
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-iodophenyl acetate
Compound characteristics
Compound ID: | 4896-3632 |
Compound Name: | 2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-iodophenyl acetate |
Molecular Weight: | 548.36 |
Molecular Formula: | C21 H17 I N4 O4 S |
Smiles: | CC(N1C(c2cc(ccc2OC(C)=O)I)Oc2c(c3ccccc13)nnc(n2)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1537 |
logD: | 4.1537 |
logSw: | -4.4814 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.477 |
InChI Key: | TYWIAWIMQFCZQQ-FQEVSTJZSA-N |