Benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate

C₂₁H₁₇FN₆O₂CAS 1220910-89-3404.41 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₂₁H₁₇FN₆O₂
Molar mass: 404.41 g/mol
Exact mass: 404.1397 Da
logP: 3.83Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5

Identifiers

CAS number

1220910-89-3

SMILES

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)NC(=O)OCC4=CC=CC=C4)F

InChIKey

GIBJIBYBOVNDET-UHFFFAOYSA-N

InChI

InChI=1S/C21H17FN6O2/c1-28-26-20(25-27-28)19-10-7-15(12-23-19)17-9-8-16(11-18(17)22)24-21(29)30-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,29)

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Names and synonyms

1 names

Carbamic acid, N-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylmethyl ester

Work with Benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate

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

Tedizolid phosphate856867-55-546 % similar 2-(2-Methyl-2H-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1056039-83-833 % similar

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

Elsewhere

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