Name: (S)-2-carboxy-3-(3-chloro-4-methoxybenzylamino)-5-(2-hydroxymethyl-1-pyrrolidinyl)pyrazine
SMILES:
COc1ccc(CNc2nc(N3CCC[C@H]3CO)cnc2C(=O)O)cc1ClMolecular Processing
Molecular formula
C18H21ClN4O4
Molecular weight
392.84
Exact mass
392.1251
XLogP
2.41
TPSA
107.81
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
101.78
Supplementary Information
Details werden geladen…
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