{4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenoxy}acetic acid
{4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-4028 |
| Compound Name: | {4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenoxy}acetic acid |
| Molecular Weight: | 519.37 |
| Molecular Formula: | C21 H19 Br N4 O5 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)OC)OCC(O)=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0129 |
| logD: | -0.2241 |
| logSw: | -4.1613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.897 |
| InChI Key: | IQGFJIOAYBRGKI-LJQANCHMSA-N |