2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate
2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-3725 |
| Compound Name: | 2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate |
| Molecular Weight: | 573.46 |
| Molecular Formula: | C25 H25 Br N4 O5 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cc(cc(c3OC(C)=O)[Br])OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0421 |
| logD: | 5.0421 |
| logSw: | -4.802 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.107 |
| InChI Key: | PXTRTCQSJQZHCJ-DEOSSOPVSA-N |