1-[6-(3-bromo-4-methoxyphenyl)-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-(3-bromo-4-methoxyphenyl)-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-(3-bromo-4-methoxyphenyl)-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: | 4896-4767 |
| Compound Name: | 1-[6-(3-bromo-4-methoxyphenyl)-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: | 499.38 |
| Molecular Formula: | C22 H19 Br N4 O3 S |
| Smiles: | CC(N1C(c2ccc(c(c2)[Br])OC)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2344 |
| logD: | 4.2344 |
| logSw: | -4.4729 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.27 |
| InChI Key: | HVRDZRLDSGMYDN-NRFANRHFSA-N |