1-[6-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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: | 4896-4838 |
| Compound Name: | 1-[6-(2,5-dimethylphenyl)-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: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CC(N1C(c2cc(C)ccc2C)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7626 |
| logD: | 4.7626 |
| logSw: | -4.6784 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | IBBGCGUGDJCSLA-QFIPXVFZSA-N |