2-bromo-6-methoxy-4-[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
2-bromo-6-methoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
2-bromo-6-methoxy-4-[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: | 4896-4391 |
| Compound Name: | 2-bromo-6-methoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate |
| Molecular Weight: | 559.44 |
| Molecular Formula: | C24 H23 Br N4 O5 S |
| Smiles: | CCC(N1C(c2cc(c(c(c2)[Br])OC(CC)=O)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3881 |
| logD: | 4.3881 |
| logSw: | -4.5284 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.502 |
| InChI Key: | AIHBTQZQIIMZRL-QHCPKHFHSA-N |