الاسم: ethyl (+)-2-[4-[((3S)-1-acetimidoyl-3-pyrrolidinyl)oxy]phenyl]-3-(7-amidino-2-naphthyl)propionate dihydrochloride
SMILES:
CCOC(=O)C(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(O[C@H]2CCN(C(C)=N)C2)cc1.Cl.ClMolecular Processing
Molecular formula
C28H34Cl2N4O3
Molecular weight
545.51
Exact mass
544.2008
XLogP
5.31
TPSA
112.49
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.321
Molar refractivity
152.99
Supplementary Information
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