名称: [(3R)-3-(5-chloro-2-cyanophenoxy)-3-(2-thiazolyl)propyl]-carbamic acid 1,1-dimethylethyl ester
SMILES:
CC(C)(C)OC(=O)NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1Molecular Processing
Molecular formula
C18H20ClN3O3S
Molecular weight
393.9
Exact mass
393.0914
XLogP
4.7
TPSA
84.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.5
Supplementary Information
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