الاسم: N1-{(1S,2R)-1-[4-(benzyloxy)benzyl]-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-N3,N3-dipropylisophthalamide
SMILES:
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)[C@H](O)CNCc2cccc(OC)c2)c1Molecular Processing
Molecular formula
C40H49N3O5
Molecular weight
651.85
Exact mass
651.3672
XLogP
6.34
TPSA
100.13
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
48
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
190.55
Supplementary Information
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