이름: tert-butyl ({4-[2-(1-azetidin-3-yl-1H-pyrazol-5-yl)-4-chlorophenoxy]-3-cyanophenyl}sulfonyl)1,3-thiazol-4-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)c(C#N)c1Molecular Processing
Molecular formula
C27H25ClN6O5S2
Molecular weight
613.12
Exact mass
612.1016
XLogP
5.6
TPSA
139.44
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
153.82
Supplementary Information
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