이름: tert-Butyl 4-[1-(2-chloropyridin-3-yl)-5-methyl-1H-[1,2,3]triazol-4-yl)-piperazine-1-carboxylate
SMILES:
Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1cccnc1ClMolecular Processing
Molecular formula
C17H23ClN6O2
Molecular weight
378.86
Exact mass
378.1571
XLogP
2.68
TPSA
76.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
98.92
Supplementary Information
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