Name: tert-butyl ((5-(4-((1R,2S)-2-(2,2-dichloroacetamido)-3-fluoro-1-hydroxypropyl)phenyl)-1,3,4-thiadiazol-2-yl)methyl)carbamate
SMILES:
CC(C)(C)OC(=O)NCc1nnc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc2)s1Molecular Processing
Molecular formula
C19H23Cl2FN4O4S
Molecular weight
493.39
Exact mass
492.0801
XLogP
3.52
TPSA
113.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
116.78
Supplementary Information
Details werden geladen…
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