COc1ccccc1N1CCN(C2CCC(O)(c3ncc(C)cc3C)CC2)CC1
名称: 1-(2-methoxyphenyl)-4-[1-hydroxy-1(3,5-dimethylpyridin-2-yl)-cyclohex-4-yl]piperazine
SMILES: COc1ccccc1N1CCN(C2CCC(O)(c3ncc(C)cc3C)CC2)CC1

Molecular Processing

Molecular formula
C24H33N3O2
Molecular weight
395.55
Exact mass
395.2573
XLogP
3.66
TPSA
48.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
116.64

Supplementary Information

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