1-[6-(2-ethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2-ethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2-ethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-2673 |
| Compound Name: | 1-[6-(2-ethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][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: | CCC(N1C(c2ccccc2OCC)Oc2c(c3cc(CC)ccc13)nnc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4858 |
| logD: | 6.4858 |
| logSw: | -5.6561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.854 |
| InChI Key: | IMXSDRUJASRNEY-SANMLTNESA-N |