1-[3-(butylsulfanyl)-6-(3-ethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(3-ethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(3-ethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4654 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(3-ethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cccc(c3)OCC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9816 |
| logD: | 4.9816 |
| logSw: | -4.6984 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.763 |
| InChI Key: | KSRATGVPIIKWMN-QHCPKHFHSA-N |