[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Chemical Structure Depiction of
[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | 4896-4336 |
| Compound Name: | [10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C22 H21 Br N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(C(c3ccc(cc3)OC)=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5266 |
| logD: | 5.5264 |
| logSw: | -5.3573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.58 |
| InChI Key: | BVQLISOSQZCJHD-OAQYLSRUSA-N |