6-[2-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5395 |
| Compound Name: | 6-[2-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | COc1cccc(C2Nc3ccccc3c3c(nc(nn3)SC)O2)c1OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0289 |
| logD: | 5.0289 |
| logSw: | -4.9435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.329 |
| InChI Key: | CCZZENSVABPWJH-QHCPKHFHSA-N |