Name: (3R,4R)-3-[1-(2-acetylamino-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
COc1ccccc1COCCCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OCc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1Molecular Processing
Molecular formula
C41H55N3O7
Molecular weight
701.9
Exact mass
701.404
XLogP
6.88
TPSA
98.8
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
51
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.512
Molar refractivity
198.61
Supplementary Information
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