CCCC1=NC2=C(N1CC(=O)OC(C)(C)C)C=CC(=C2)NCC3=CC=CC=C3
الاسم: tert-butyl 2-[5-(benzylamino)-2-propylbenzimidazol-1-yl]acetate
SMILES: CCCC1=NC2=C(N1CC(=O)OC(C)(C)C)C=CC(=C2)NCC3=CC=CC=C3

Molecular Processing

Molecular formula
C23H29N3O2
Molecular weight
379.5
Exact mass
379.226
XLogP
4.94
TPSA
56.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.34

Supplementary Information

InChIKey: HUZPLJCWTHYRPG-UHFFFAOYSA-N
مرادفات
SCHEMBL1885070HUZPLJCWTHYRPG-UHFFFAOYSA-N(5-Benzylamino-2-propyl-benzoimidazol-1-yl)-acetic acid tert-butyl ester
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