1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-0047 |
| Compound Name: | 1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCCCC)OC(c1ccc(cc1)OCCCC)N2C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5935 |
| logD: | 6.5935 |
| logSw: | -5.7471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.062 |
| InChI Key: | NPSPBRADPCFCAK-SANMLTNESA-N |