이름: ethyl 4-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-quinolin-2-carboxylate
SMILES:
CCOC(=O)c1cc(OCCCN2CCN(c3cccc4sccc34)CC2)c2ccccc2n1Molecular Processing
Molecular formula
C27H29N3O3S
Molecular weight
475.61
Exact mass
475.193
XLogP
5.22
TPSA
54.9
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
138.29
Supplementary Information
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