名称: [1-(2-chloro-pyrimidin-4-yl)-azetidin-3-yl]-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)NC1CN(c2ccnc(Cl)n2)C1Molecular Processing
Molecular formula
C12H17ClN4O2
Molecular weight
284.75
Exact mass
284.104
XLogP
1.84
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
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
0.583
Molar refractivity
72.41
Supplementary Information
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