10-bromo-6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0302 |
| Compound Name: | 10-bromo-6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 363.23 |
| Molecular Formula: | C14 H11 Br N4 O S |
| Smiles: | CC1=Nc2ccc(cc2c2c(nc(nn2)SCC=C)O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6447 |
| logD: | 3.6447 |
| logSw: | -4.0256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | PXKFTWFDFUVUAX-UHFFFAOYSA-N |