名称: (2-amino-4-cyano-5-dimethylamino-phenyl)-carbamic acid tert-butyl ester
SMILES:
CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C#NMolecular Processing
Molecular formula
C14H20N4O2
Molecular weight
276.34
Exact mass
276.1586
XLogP
2.55
TPSA
91.38
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
79.75
Supplementary Information
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