5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Chemical Structure Depiction of
5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Compound characteristics
| Compound ID: | 4896-4043 |
| Compound Name: | 5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol |
| Molecular Weight: | 461.34 |
| Molecular Formula: | C19 H17 Br N4 O3 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)O)OC)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3423 |
| logD: | 4.3107 |
| logSw: | -4.0181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | PZOUIVHAIOQGSD-QGZVFWFLSA-N |