COC1=CC(=C(C=C1)CNC2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F)OC
名称: 4-(2,4-difluorophenyl)-N-[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]benzenesulfonamide
SMILES: COC1=CC(=C(C=C1)CNC2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F)OC

Molecular Processing

Molecular formula
C27H30F2N2O4S
Molecular weight
516.61
Exact mass
516.1894
XLogP
5.03
TPSA
76.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
134.55

Supplementary Information

InChIKey: AYHRCAZSFMOMPJ-UHFFFAOYSA-N
同義語
SCHEMBL2198225SCHEMBL2198231SCHEMBL12508081AYHRCAZSFMOMPJ-SZPZYZBQSA-NN-(cis-4-(2,4-Dimethoxybenzylamino)cyclohexyl)-2',4'-difluorobiphenyl-4-sulfonamide
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