3-[(prop-2-en-1-yl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-[(prop-2-en-1-yl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3651 |
| Compound Name: | 3-[(prop-2-en-1-yl)sulfanyl]-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9877 |
| logD: | 3.9877 |
| logSw: | -4.208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.275 |
| InChI Key: | PIJWFONLEJHEGG-FQEVSTJZSA-N |