이름: {2-[(6-Cyano-pyridine-3-carbonyl)-amino]-phenyl}-carbamic acid t-butyl ester
SMILES:
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C#N)nc1Molecular Processing
Molecular formula
C18H18N4O3
Molecular weight
338.37
Exact mass
338.1379
XLogP
3.55
TPSA
104.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
93.2
Supplementary Information
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