Nombre: 2-{2-[7-chloro-2-oxo-6-(3-pyridin-4-yl-ureido)-3-thiophen-2-yl-1,2-dihydroquinolin-4-yloxy]-ethyl }-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCCC1CCOc1c(-c2cccs2)c(=O)[nH]c2cc(Cl)c(NC(=O)Nc3ccncc3)cc12Molecular Processing
Molecular formula
C31H34ClN5O5S
Molecular weight
624.16
Exact mass
623.1969
XLogP
7.51
TPSA
125.65
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
170.46
Supplementary Information
Obteniendo detalles…
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