Nombre: (2S)-3-cyclohexyl-2-[5-oxo-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-1-yl]propanoic acid

SMILES: C1CCC(CC1)CC(C(=O)O)N2CC(=CC2=O)OC3=CC=CC=C3OCC4=CC=CC=C4

Molecular Processing

Molecular formula

C26H29NO5

Molecular weight

435.52

Exact mass

435.2046

XLogP

4.79

TPSA

76.07

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

0.385

Molar refractivity

120.26

Supplementary Information

InChIKey: WYFJKDHNZPALSP-QFIPXVFZSA-N

Sinónimos

SCHEMBL1063636WYFJKDHNZPALSP-QFIPXVFZSA-N(S)-2-[4-(2-benzyloxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionic acid