6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0214 |
| Compound Name: | 6-methyl-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 284.34 |
| Molecular Formula: | C14 H12 N4 O S |
| Smiles: | CC1=Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.6811 |
| logD: | 2.6811 |
| logSw: | -3.3067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.102 |
| InChI Key: | SUUJJNCTAKOJEH-UHFFFAOYSA-N |