6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2871 |
| Compound Name: | 6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C25 H25 Cl N6 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3c(C)nn(c4ccccc4)c3[Cl])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1053 |
| logD: | 6.1053 |
| logSw: | -6.0146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.097 |
| InChI Key: | GYXWDBSFZOPJHB-QHCPKHFHSA-N |