이름: 4-{[cyclohexyl(2-methyl-5-phenylthiophen-3-yl)methyl]amino}benzoic acid
SMILES:
Cc1sc(-c2ccccc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1Molecular Processing
Molecular formula
C25H27NO2S
Molecular weight
405.56
Exact mass
405.1763
XLogP
7.16
TPSA
49.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
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
0.32
Molar refractivity
120.83
Supplementary Information
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