4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
Compound characteristics
| Compound ID: | 2049-1954 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3c(C)nn(c4ccccc4)c3O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3553 |
| logD: | 3.6659 |
| logSw: | -4.1619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.147 |
| InChI Key: | CXINGIIRSSPNSH-NRFANRHFSA-N |