6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-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-{[(4-methylphenyl)methyl]sulfanyl}-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-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3939 |
| Compound Name: | 6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 527.05 |
| Molecular Formula: | C28 H23 Cl N6 O S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4c(C)nn(c5ccccc5)c4[Cl])O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6368 |
| logD: | 5.6368 |
| logSw: | -5.9833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.826 |
| InChI Key: | LELMAHFQFXUYPR-SANMLTNESA-N |