4-bromo-3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Chemical Structure Depiction of
4-bromo-3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
4-bromo-3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Compound characteristics
| Compound ID: | 4896-5154 |
| Compound Name: | 4-bromo-3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C23 H21 Br N4 O4 S |
| Smiles: | CCC(N1C(c2cc(ccc2[Br])OC(CC)=O)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.596 |
| logD: | 4.596 |
| logSw: | -4.5554 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.698 |
| InChI Key: | WWDPXORCZFBKTL-QFIPXVFZSA-N |