(2R,5S,13Ar)-2,3,4,5,7,9,13,13A-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazepine-10-carboxamide

C₂₁H₁₈F₃N₃O₅CAS 1611493-60-7449.39 g/mol

Open in Covalent MOL file

Alcohol Amide Halogen

Properties

Molecular formula: C₂₁H₁₈F₃N₃O₅
Molar mass: 449.39 g/mol
Exact mass: 449.1199 Da
logP: 2.21Crippen estimate
Polar surface area: 104.4 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

1611493-60-7

SMILES

O=C1c2c(O)c(=O)c(C(O)=NCc3c(F)cc(F)cc3F)cn2C[C@H]2O[C@@H]3CC[C@@H](C3)N12

InChIKey

SOLUWJRYJLAZCX-LYOVBCGYSA-N

InChI

InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1

Weigh it out

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

Names and synonyms

3 names

2,5-Methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (2R,5S,13aR)-
Bictegravir
GS 9883

Work with (2R,5S,13Ar)-2,3,4,5,7,9,13,13A-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazepine-10-carboxamide

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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