$COc1ccc(CN2C(=O)CC[C@@H]2/C=C(\c2ccc(C(C)(C)C)cc2)c2ccc(CCCCOS(C)(=O)=O)c(OC)n2)c(OC)c1$

Название: 4-(6-{(E)-1-(4-tert-butylphenyl)-2-[(2R)-1-(2,4-dimethoxybenzyl)-5-oxopyrrolidin-2-yl]ethenyl}-2-methoxypyridin-3-yl)butyl methanesulfonate

SMILES: COc1ccc(CN2C(=O)CC[C@@H]2/C=C(\c2ccc(C(C)(C)C)cc2)c2ccc(CCCCOS(C)(=O)=O)c(OC)n2)c(OC)c1

Molecular Processing

Molecular formula

C36H46N2O7S

Molecular weight

650.84

Exact mass

650.3026

XLogP

6.33

TPSA

104.26

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.444

Molar refractivity

179.86

Supplementary Information

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