الاسم: tert-butyl 4-{[4-({[(3-isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl]amino}methyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylate
SMILES:
CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(C(=O)OC(C)(C)C)CCOCC3)CC2)c2ccccc21Molecular Processing
Molecular formula
C28H42N4O5
Molecular weight
514.67
Exact mass
514.3155
XLogP
3.79
TPSA
94.8
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
142.87
Supplementary Information
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