CC1CCCC(N1C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)Cl)OCC(=O)O)Cl)C
名称: 2-[4-chloro-2-[3-chloro-4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]phenoxy]acetic acid
SMILES: CC1CCCC(N1C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)Cl)OCC(=O)O)Cl)C

Molecular Processing

Molecular formula
C22H23Cl2NO4
Molecular weight
436.34
Exact mass
435.1004
XLogP
5.53
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
113.97

Supplementary Information

InChIKey: FBTAKDCLJGEXIA-OKILXGFUSA-N
同義語
SCHEMBL2101992FBTAKDCLJGEXIA-OKILXGFUSA-N[[3',5-dichloro-4'-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl][1,1'-biphenyl]-2-yl]oxy]-acetic acid[[3',5-dichloro-4'-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl][1,1'-biphenyl]-2-yl]oxy]acetic acid
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