이름: {2′-Ethoxy-2-[(4-oxo-1,4-dihydroquinoline-3-carbonyl)-amino]-biphenyl-4-ylmethyl}-carbamic acid tert-butyl ester
SMILES:
CCOc1ccccc1-c1ccc(CNC(=O)OC(C)(C)C)cc1NC(=O)c1c[nH]c2ccccc2c1=OMolecular Processing
Molecular formula
C30H31N3O5
Molecular weight
513.59
Exact mass
513.2264
XLogP
5.87
TPSA
109.52
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
148.64
Supplementary Information
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