6-(1-phenylprop-1-en-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(1-phenylprop-1-en-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(1-phenylprop-1-en-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5254 |
| Compound Name: | 6-(1-phenylprop-1-en-2-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | C/C(=C\c1ccccc1)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3042 |
| logD: | 5.3042 |
| logSw: | -5.444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | CZLXTNLRRWOGRY-FQEVSTJZSA-N |