4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-bromo-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-bromo-2-methoxyphenyl acetate
4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-bromo-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5617-0013 |
| Compound Name: | 4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-bromo-2-methoxyphenyl acetate |
| Molecular Weight: | 531.38 |
| Molecular Formula: | C22 H19 Br N4 O5 S |
| Smiles: | CC(N1C(c2cc(c(cc2[Br])OC(C)=O)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2898 |
| logD: | 3.2898 |
| logSw: | -3.9323 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.107 |
| InChI Key: | IOMJRTLHWAPJFR-NRFANRHFSA-N |