3-bromo-5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Chemical Structure Depiction of
3-bromo-5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
3-bromo-5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-1141 |
| Compound Name: | 3-bromo-5-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C18 H15 Br N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Br])O)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6264 |
| logD: | 3.4565 |
| logSw: | -3.4852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.325 |
| InChI Key: | KYCYSBQFDBFWTJ-INIZCTEOSA-N |