3-(ethylsulfanyl)-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2337 |
| Compound Name: | 3-(ethylsulfanyl)-6-[2-(4-methoxyphenyl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(/C=C/c3ccc(cc3)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7524 |
| logD: | 4.7524 |
| logSw: | -4.6118 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.189 |
| InChI Key: | ZOQZFEYCPULKDH-SFHVURJKSA-N |