6-(5-chloro-2,3-dimethoxyphenyl)-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-(5-chloro-2,3-dimethoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-chloro-2,3-dimethoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5511-0135 |
| Compound Name: | 6-(5-chloro-2,3-dimethoxyphenyl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | COc1cc(cc(C2Nc3ccccc3c3c(nc(nn3)SCC=C)O2)c1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9575 |
| logD: | 4.9575 |
| logSw: | -4.9842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.645 |
| InChI Key: | PDTHIXOXWJBXFS-IBGZPJMESA-N |