Name: Ethyl (2S)-3-[4-(3-{4-[(tert-butoxycarbonyl)amino]phenyl}propoxy)phenyl]-2-ethoxypropanoate
SMILES:
CCOC(=O)[C@H](Cc1ccc(OCCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)OCCMolecular Processing
Molecular formula
C27H37NO6
Molecular weight
471.59
Exact mass
471.2621
XLogP
5.56
TPSA
83.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
34
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
132.31
Supplementary Information
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