chempirical

Linzagolix

C22H15F3N2O7SCAS 935283-04-8508.42 g/mol

Open in Covalent MOL file
OFFONOSNHOOHOFO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C22H15F3N2O7S
Molar mass
508.42 g/mol
Exact mass
508.0552 Da
logP
3.45Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
935283-04-8
SMILES
COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)O)F)OC
InChIKey
BMAAMIIYNNPHAB-UHFFFAOYSA-N
InChI
InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)

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Work with Linzagolix

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-Fluoro-4-methoxybenzoic acid403-20-332 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-232 % similar 3,4-Difluoro-2-methoxybenzoic acid875664-52-131 % similar 4-(Benzyloxy)-3-methoxybenzoic acid1486-53-930 % similar 3-Benzyloxy-4-methoxybenzoic acid58452-00-930 % similar 3-Ethoxy-4-methoxybenzoic acid2651-55-030 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-030 % similar

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

Elsewhere

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