CCCCNc1nccc(N2CC(NC(=O)OC(C)(C)C)C2)n1
名称: [1-(2-Butylamino-pyrimidin-4-yl)azetidin-3-yl]-carbamic acid tert-butyl ester
SMILES: CCCCNc1nccc(N2CC(NC(=O)OC(C)(C)C)C2)n1

Molecular Processing

Molecular formula
C16H27N5O2
Molecular weight
321.43
Exact mass
321.2165
XLogP
2.4
TPSA
79.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
90.8

Supplementary Information

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