2,6-dimethoxy-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
2,6-dimethoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
2,6-dimethoxy-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: | 4896-5196 |
| Compound Name: | 2,6-dimethoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C25 H26 N4 O6 S |
| Smiles: | CCC(N1C(c2cc(c(c(c2)OC)OC(CC)=O)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6953 |
| logD: | 3.6953 |
| logSw: | -4.1035 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.132 |
| InChI Key: | IZAIFGIHVJVDQL-DEOSSOPVSA-N |