الاسم: 4-{[cyclopentyl(3-methyl-1-benzothiophen-2-yl)methyl]amino}benzoic acid
SMILES:
Cc1c(C(Nc2ccc(C(=O)O)cc2)C2CCCC2)sc2ccccc12Molecular Processing
Molecular formula
C22H23NO2S
Molecular weight
365.5
Exact mass
365.1449
XLogP
6.25
TPSA
49.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.29
Supplementary Information
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