(R)-7-(Benzyloxy)- 3,4,12,12A-tetrahydro- 1H-[1,4]oxazino[3,4- C]pyrido[2,1-F][1,2,4]- triazine-6,8-dione

C₁₇H₁₇N₃O₄CAS 1985607-70-2327.34 g/mol

Open in Covalent MOL file

Amide Ether Lactam Secondary amine

Properties

Molecular formula: C₁₇H₁₇N₃O₄
Molar mass: 327.34 g/mol
Exact mass: 327.1219 Da
logP: 0.78Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1985607-70-2

SMILES

C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2)OCC4=CC=CC=C4

InChIKey

HJTRSKVIYMCKJU-AWEZNQCLSA-N

InChI

InChI=1S/C17H17N3O4/c21-13-6-7-20-15(16(13)24-10-12-4-2-1-3-5-12)17(22)19-8-9-23-11-14(19)18-20/h1-7,14,18H,8-11H2/t14-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(R)-7-(Benzyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione

Work with (R)-7-(Benzyloxy)- 3,4,12,12A-tetrahydro- 1H-[1,4]oxazino[3,4- C]pyrido[2,1-F][1,2,4]- triazine-6,8-dione

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

Similar compounds

3-(Benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid1206102-06-841 % similar Methyl 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylate1206102-07-939 % similar 3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-235 % similar [[(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 carbonate1985606-14-134 % similar Baloxavir1985605-59-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook