Name: 2-{2-[7-chloro-3-(3,5-dimethylphenyl)-6-(3-ethylureido)-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid benzyl ester
SMILES:
CCNC(=O)Nc1cc2c(OCCC3CCCCN3C(=O)OCc3ccccc3)c(-c3cc(C)cc(C)c3)c(=O)[nH]c2cc1ClMolecular Processing
Molecular formula
C35H39ClN4O5
Molecular weight
631.17
Exact mass
630.2609
XLogP
7.57
TPSA
112.76
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.343
Molar refractivity
178.27
Supplementary Information
Details werden geladen…
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