Nombre: ethyl 1-(5-(7-bromo-2-(3-ethylureido)benzothiazol-5-yl)pyrimidin-2-yl)-4-methylpiperidine-4-carboxylate
SMILES:
CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc(Br)c2s1Molecular Processing
Molecular formula
C23H27BrN6O3S
Molecular weight
547.48
Exact mass
546.1049
XLogP
4.83
TPSA
109.34
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
137.23
Supplementary Information
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