1-[6-(5-bromothiophen-2-yl)-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-(5-bromothiophen-2-yl)-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-(5-bromothiophen-2-yl)-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: | 4896-4092 |
| Compound Name: | 1-[6-(5-bromothiophen-2-yl)-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: | 475.38 |
| Molecular Formula: | C19 H15 Br N4 O2 S2 |
| Smiles: | CC(N1C(c2ccc(s2)[Br])Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4059 |
| logD: | 4.4059 |
| logSw: | -4.4838 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.657 |
| InChI Key: | WODDEFWXLQDJIA-SFHVURJKSA-N |