6-(4-tert-butylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-tert-butylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-tert-butylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-0161 |
| Compound Name: | 6-(4-tert-butylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4235 |
| logD: | 5.4235 |
| logSw: | -5.5705 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | WNMFZAKVNKYNDN-SFHVURJKSA-N |