이름: N-(t-butyloxycarbonylaminoethyl)-1-(3,5-diflurobenzyl)-2-mercaptoimidazole-5-carboxamide
SMILES:
CC(C)(C)OC(=O)NCCNC(=O)c1cnc(S)n1Cc1cc(F)cc(F)c1Molecular Processing
Molecular formula
C18H22F2N4O3S
Molecular weight
412.46
Exact mass
412.1381
XLogP
2.75
TPSA
85.25
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
101.51
Supplementary Information
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