Name: benzyl 4-(2-(4-propyl-1H-1,2,3-triazol-1-yl)acetyl)morpholine-2-carboxylate
SMILES:
CCCc1cn(CC(=O)N2CCOC(C(=O)OCc3ccccc3)C2)nn1Molecular Processing
Molecular formula
C19H24N4O4
Molecular weight
372.43
Exact mass
372.1798
XLogP
1.2
TPSA
86.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
96.58
Supplementary Information
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