이름: 2-{1-(4-fluorobenzyl)-2-[2-methoxymethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-2-oxo-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C(COC)C1Molecular Processing
Molecular formula
C39H50FN5O6
Molecular weight
703.86
Exact mass
703.3745
XLogP
3.92
TPSA
120.52
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
51
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.487
Molar refractivity
192.45
Supplementary Information
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