1-{10-ethyl-3-[(3-methylbutyl)sulfanyl]-6-(3-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{10-ethyl-3-[(3-methylbutyl)sulfanyl]-6-(3-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{10-ethyl-3-[(3-methylbutyl)sulfanyl]-6-(3-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F579-4253 |
| Compound Name: | 1-{10-ethyl-3-[(3-methylbutyl)sulfanyl]-6-(3-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)c1c(nc(nn1)SCCC(C)C)OC(c1cccc(C)c1)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2018 |
| logD: | 6.2018 |
| logSw: | -5.4787 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | ZJEPZIIFROBVIK-VWLOTQADSA-N |