Name: ethyl 3-{[[4-(benzyloxy)butyl](propyl)-amino]carbonyl}-5-methylbenzoate
SMILES:
CCCN(CCCCOCc1ccccc1)C(=O)c1cc(C)cc(C(=O)OCC)c1Molecular Processing
Molecular formula
C25H33NO4
Molecular weight
411.54
Exact mass
411.241
XLogP
5.02
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
118.66
Supplementary Information
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