[[(12Ar)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[B,E]thiepin-11-yl]-3,4,6,8,12,12A-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-C]pyrido[2,1-F][1,2,4]triazin-7-yl]oxy]methyl methyl carbonate

C₂₇H₂₃F₂N₃O₇SCAS 1985606-14-1571.55 g/mol

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Acetal Amide Aryl halide Carbonate Ether Lactam Sulfide Tertiary amine

Properties

Molecular formula: C₂₇H₂₃F₂N₃O₇S
Molar mass: 571.55 g/mol
Exact mass: 571.1225 Da
logP: 3.39Crippen estimate
Polar surface area: 99.5 Å²
H-bond donors / acceptors: 0 / 9
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

1985606-14-1

SMILES

COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O

InChIKey

RZVPBGBYGMDSBG-GGAORHGYSA-N

InChI

InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Carbonic acid, [[(12aR)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl ester
Baloxavir marboxil
S 033188
({(12aR)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl}oxy)methyl methyl carbonate
Xofluza
RG-6152
RG6152
RG 6152

Work with [[(12Ar)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[B,E]thiepin-11-yl]-3,4,6,8,12,12A-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-C]pyrido[2,1-F][1,2,4]triazin-7-yl]oxy]methyl methyl carbonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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