Name: benzyl 3-(1-methylcyclohexylcarbonylamino)-4-oxovalerate
SMILES:
CC(=O)C(CC(=O)OCc1ccccc1)NC(=O)C1(C)CCCCC1Molecular Processing
Molecular formula
C20H27NO4
Molecular weight
345.44
Exact mass
345.194
XLogP
3.16
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
94.66
Supplementary Information
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