名称: tert-butyl {[4-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-3-cyanophenyl]sulfonyl}1,3-thiazol-4-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C2CN(C(c3ccccc3)c3ccccc3)C2)c(C#N)c1Molecular Processing
Molecular formula
C40H35ClN6O5S2
Molecular weight
779.34
Exact mass
778.1799
XLogP
9.1
TPSA
130.65
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
54
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
207.25
Supplementary Information
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