Name: 2-[(S)-1-(8-methylaminooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide naphthalene-1,5-disulfonic acid salt
SMILES:
CNCCCCCCCCN1CC[C@@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12Molecular Processing
Molecular formula
C37H47N3O7S2
Molecular weight
709.93
Exact mass
709.2855
XLogP
5.67
TPSA
167.1
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.378
Molar refractivity
192.61
Supplementary Information
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