Name: ((1S,2S,5R)-2-Aminomethyl-3-aza-bicyclo[3.1.0]hex-3-yl)-(2-methyl-5-m-tolyl-thiazol-4-yl)-methanone
SMILES:
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)c1Molecular Processing
Molecular formula
C18H21N3OS
Molecular weight
327.45
Exact mass
327.1405
XLogP
2.85
TPSA
59.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
92.5
Supplementary Information
Details werden geladen…
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