4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-methoxyphenol
Chemical Structure Depiction of
4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-methoxyphenol
4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-methoxyphenol
Compound characteristics
| Compound ID: | 4896-5046 |
| Compound Name: | 4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-methoxyphenol |
| Molecular Weight: | 473.35 |
| Molecular Formula: | C20 H17 Br N4 O3 S |
| Smiles: | COc1cc(ccc1O)C1Nc2ccc(cc2c2c(nc(nn2)SCC=C)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4387 |
| logD: | 4.4339 |
| logSw: | -4.0509 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | VHINNYVVRLPQAN-GOSISDBHSA-N |