6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)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-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3318 |
| Compound Name: | 6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 462.96 |
| Molecular Formula: | C23 H19 Cl N6 O S |
| Smiles: | Cc1c(C2Nc3ccccc3c3c(nc(nn3)SCC=C)O2)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6663 |
| logD: | 4.6663 |
| logSw: | -4.7998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.097 |
| InChI Key: | GCNPVFFCXSSQBL-NRFANRHFSA-N |