1-[3-(butylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[3-(butylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-0004 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCCCC)OC(c1cccs1)N2C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.755 |
| logD: | 4.755 |
| logSw: | -4.6881 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.662 |
| InChI Key: | NCIDQLRMFGYNCC-FQEVSTJZSA-N |