O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)N2CCC(c3ccncc3)CC2)no1
名称: (3R)-6-cyclohexyl-3-(3-{[4-(4-pyridinyl)-1-piperidinyl]carbonyl}-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILES: O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)N2CCC(c3ccncc3)CC2)no1

Molecular Processing

Molecular formula
C25H34N4O4
Molecular weight
454.57
Exact mass
454.258
XLogP
4.79
TPSA
109.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
121.83

Supplementary Information

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