(2E)-3-[2,6-Dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-2-propenoic acid

C₂₉H₃₂Cl₂N₂O₅SCAS 1110766-97-6591.54 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen Sulfide

Properties

Molecular formula: C₂₉H₃₂Cl₂N₂O₅S
Molar mass: 591.54 g/mol
Exact mass: 590.1409 Da
logP: 8.91Crippen estimate
Polar surface area: 101.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 13

Identifiers

CAS number

1110766-97-6

SMILES

CCCCCCO[C@@H](C)c1cccc(-c2csc(N=C(O)c3cc(Cl)c(/C=C(C)C(=O)O)c(Cl)c3)n2)c1OC

InChIKey

NOZIJMHMKORZBA-KJCUYJGMSA-N

InChI

InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1

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Names and synonyms

4 names

2-Propenoic acid, 3-[2,6-dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-, (2E)-
Lusutrombopag
S 888711
Mulpleo

Work with (2E)-3-[2,6-Dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-2-propenoic acid

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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