3-{[(2-fluorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6188-0075 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C26 H21 F N4 O2 S |
| Smiles: | COc1ccc(/C=C/C2Nc3ccccc3c3c(nc(nn3)SCc3ccccc3F)O2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1227 |
| logD: | 6.1227 |
| logSw: | -5.7599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.918 |
| InChI Key: | NVJFGCAQCQSAMN-QHCPKHFHSA-N |