الاسم: 18-[8-bromo-7-methoxy-2-(thiazol-2-yl)-quinolin-4-yloxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILES:
COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCCCC(=O)N4C3)cc(-c3nccs3)nc2c1BrMolecular Processing
Molecular formula
C31H33BrN4O6S
Molecular weight
669.6
Exact mass
668.1304
XLogP
5.35
TPSA
130.95
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
43
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
165.1
Supplementary Information
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