6-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-methoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5511-0347 |
| Compound Name: | 6-(3-methoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | COc1cccc(c1)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2781 |
| logD: | 4.2781 |
| logSw: | -4.4167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.841 |
| InChI Key: | AMNXXCLNVPOTHP-SFHVURJKSA-N |