الاسم: tert-butyl 4-(3-((1-(5-chloro-3-((1-(4-(methoxycarbonyl)phenyl)cyclopropyl)carbamoyl)pyridin-2-yl)azetidin-3-yl)oxy)phenyl)piperazine-1-carboxylate
SMILES:
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C35H40ClN5O6
Molecular weight
662.19
Exact mass
661.2667
XLogP
5.27
TPSA
113.54
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
178.5
Supplementary Information
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