3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3668 |
| Compound Name: | 3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 513.02 |
| Molecular Formula: | C27 H21 Cl N6 O S |
| Smiles: | Cc1c(C2Nc3ccccc3c3c(nc(nn3)SCc3ccccc3)O2)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2134 |
| logD: | 5.2134 |
| logSw: | -5.5373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.826 |
| InChI Key: | KUCNQAWXKKEWKJ-VWLOTQADSA-N |