2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol structure
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Common Name | 2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol | ||
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| CAS Number | 274693-26-4 | Molecular Weight | 562.632 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 759.1±70.0 °C at 760 mmHg | |
| Molecular Formula | C26H32F2N6O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 412.9±35.7 °C | |
| Name | cpatama |
|---|---|
| Synonym | More Synonyms |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 759.1±70.0 °C at 760 mmHg |
| Molecular Formula | C26H32F2N6O4S |
| Molecular Weight | 562.632 |
| Flash Point | 412.9±35.7 °C |
| Exact Mass | 562.217407 |
| PSA | 141.74000 |
| LogP | 3.97 |
| Vapour Pressure | 0.0±2.7 mmHg at 25°C |
| Index of Refraction | 1.715 |
| InChIKey | WLEOHEIRUFTYCF-FYEBJQQMSA-N |
| SMILES | CCCSc1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C4OC(C)(C)OC43)c2n1 |
| Precursor 0 | |
|---|---|
| DownStream 1 | |
| Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta[d]-1,3-dioxol-4-yl]oxy]- |
| 2-({(3aR,4S,6R,6aS)-6-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}oxy)ethanol |