الاسم: 1-[[[4-(4-propylpiperazin-1-yl)phenyl]carbonyl]amino]cyclohexanecarboxylic acid methyl ester
SMILES:
CCCN1CCN(c2ccc(C(=O)NC3(C(=O)OC)CCCCC3)cc2)CC1Molecular Processing
Molecular formula
C22H33N3O3
Molecular weight
387.52
Exact mass
387.2522
XLogP
2.82
TPSA
61.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
110.68
Supplementary Information
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