1-{3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1H-indol-1-yl}propan-1-one
Chemical Structure Depiction of
1-{3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1H-indol-1-yl}propan-1-one
1-{3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1H-indol-1-yl}propan-1-one
Compound characteristics
| Compound ID: | 6848-0597 |
| Compound Name: | 1-{3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1H-indol-1-yl}propan-1-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CCC(N1C(c2cn(C(CC)=O)c3ccccc23)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9876 |
| logD: | 3.9876 |
| logSw: | -4.0862 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.775 |
| InChI Key: | DYVIDISVCIGOGK-DEOSSOPVSA-N |