Название: 2-[1-benzyl-2-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methoxy]indol-3-yl]acetic acid

SMILES: CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CSC(=N4)C5=CC=CC=C5)CC(=O)O

Molecular Processing

Molecular formula

C28H24N2O3S

Molecular weight

468.58

Exact mass

468.1508

XLogP

6.33

TPSA

64.35

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

0.143

Molar refractivity

135.44

Supplementary Information

InChIKey: VMNHVDAKIPEIAR-UHFFFAOYSA-N

Синонимы

SCHEMBL9140764VMNHVDAKIPEIAR-UHFFFAOYSA-N1-[(Phenyl)methyl]-2-methyl-5-[(2-phenyl-4-thiazolyl)methoxy]-1H-indole-3-acetic acid