名称: 3-{5-[6-(4-{2-[5-(2-Methoxycarbonylamino-3-methyl-butyryl)-5-aza-spiro[2.4]hept-6-yl]-3H-imidazol-4-yl}-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl}-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SMILES:
COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6C7CCC(C7)N6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2)[nH]1)C(C)CMolecular Processing
Molecular formula
C46H53N7O5
Molecular weight
783.97
Exact mass
783.4108
XLogP
9.18
TPSA
145.54
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
58
Rings
9
Aromatic rings
5
Saturated rings
4
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
221.4
Supplementary Information
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