3-[(prop-2-en-1-yl)sulfanyl]-6-(4-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-[(prop-2-en-1-yl)sulfanyl]-6-(4-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-[(prop-2-en-1-yl)sulfanyl]-6-(4-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3846 |
| Compound Name: | 3-[(prop-2-en-1-yl)sulfanyl]-6-(4-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCCOc1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2477 |
| logD: | 5.2477 |
| logSw: | -5.1414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.715 |
| InChI Key: | LLKXDCIJXQLPQO-FQEVSTJZSA-N |