6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5391 |
| Compound Name: | 6-(3-ethoxy-2-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCOc1cccc(C2Nc3ccccc3c3c(nc(nn3)SCC)O2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3829 |
| logD: | 4.3829 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.225 |
| InChI Key: | JZSWARGJZZZDQG-IBGZPJMESA-N |