1-[6-{4-[(prop-2-en-1-yl)oxy]phenyl}-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-{4-[(prop-2-en-1-yl)oxy]phenyl}-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-{4-[(prop-2-en-1-yl)oxy]phenyl}-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4139 |
| Compound Name: | 1-[6-{4-[(prop-2-en-1-yl)oxy]phenyl}-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | CC(N1C(c2ccc(cc2)OCC=C)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.379 |
| logD: | 4.379 |
| logSw: | -4.4731 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.057 |
| InChI Key: | OJGLRRIKFYVXFC-QHCPKHFHSA-N |