이름: [4-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone

SMILES: CCC1=CN=C(C(=C1)C)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)N4CCCS4(=O)=O

Molecular Processing

Molecular formula

C22H27BrN4O3S

Molecular weight

507.45

Exact mass

506.0987

XLogP

3.22

TPSA

73.82

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

0.455

Molar refractivity

126.36

Supplementary Information

InChIKey: OHVFAIACKPFBFH-UHFFFAOYSA-N

동의어

SCHEMBL2365976OHVFAIACKPFBFH-UHFFFAOYSA-N[4-bromo-2-(1,1-dioxoisothiazolidin-2-yl)phenyl][4-(5-ethyl-3-methylpyridin-2-yl)piperazin-1-yl]methanone