이름: methyl 4-(4-(dibutylcarbamoyl)-1H-imidazol-2-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoate
SMILES:
CCCCN(CCCC)C(=O)c1c[nH]c(-c2ccc(C(=O)OC)cc2C(=O)N2CCc3ccccc3C2)n1Molecular Processing
Molecular formula
C30H36N4O4
Molecular weight
516.64
Exact mass
516.2737
XLogP
5.1
TPSA
95.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
145.97
Supplementary Information
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