3-(hexylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(hexylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(hexylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2749 |
| Compound Name: | 3-(hexylsulfanyl)-6-(6-methylpyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(c3cccc(C)n3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5921 |
| logD: | 5.5921 |
| logSw: | -5.4271 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.72 |
| InChI Key: | MBXPDDWJVRJGTC-FQEVSTJZSA-N |