Name: 4-[4-[4-[(3-tert-butylphenyl)carbamoyl]-2-fluorophenyl]piperazin-1-yl]benzoic acid

SMILES: CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)c(F)c2)c1

Molecular Processing

Molecular formula

C28H30FN3O3

Molecular weight

475.56

Exact mass

475.2271

XLogP

5.4

TPSA

72.88

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

0.286

Molar refractivity

137.32

Supplementary Information

InChIKey: BPPBPUQIGYTEJH-UHFFFAOYSA-N

Synonyme

SCHEMBL2304771BPPBPUQIGYTEJH-UHFFFAOYSA-N4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid