Название: 2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]anilino]-2-methylpropanoic acid

SMILES: CCCCCCCN(CCC1=CC=C(C=C1)NC(C)(C)C(=O)O)C(=O)NC2=C(C=C(C=C2)F)F

Molecular Processing

Molecular formula

C26H35F2N3O3

Molecular weight

475.58

Exact mass

475.2646

XLogP

6.29

TPSA

81.67

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

0.462

Molar refractivity

131.19

Supplementary Information

InChIKey: KEXAGDAOXMBGCQ-UHFFFAOYSA-N

Синонимы

SCHEMBL6747512KEXAGDAOXMBGCQ-UHFFFAOYSA-N2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenylamino)-2-methyl-propionic acid