2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-methoxyphenyl acetate
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-2752 |
| Compound Name: | 2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-methoxyphenyl acetate |
| Molecular Weight: | 545.41 |
| Molecular Formula: | C23 H21 Br N4 O5 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3cc(cc(c3OC(C)=O)OC)[Br])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9888 |
| logD: | 3.9888 |
| logSw: | -4.2785 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.194 |
| InChI Key: | CHVOQNJHMSNHCE-QFIPXVFZSA-N |