이름: 3-cyano-N-[(2,4-dimethoxyphenyl)methyl]-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

SMILES: COC1=CC(=C(C=C1)CN(C2=NC=NS2)S(=O)(=O)C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)I)C#N)OC

Molecular Processing

Molecular formula

C25H18F3IN4O5S2

Molecular weight

702.47

Exact mass

701.9715

XLogP

6.24

TPSA

114.64

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

0.16

Molar refractivity

148.22

Supplementary Information

InChIKey: QFFYGIUYWKSIDA-UHFFFAOYSA-N

동의어

3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamideSCHEMBL1094099