Name: 4-(1H-imidazol-1-ylmethyl)-N1 -(3-pyridinylmethyl)-1,2-benzenediamine
SMILES:
Nc1cc(Cn2ccnc2)ccc1NCc1cccnc1Molecular Processing
Molecular formula
C16H17N5
Molecular weight
279.35
Exact mass
279.1484
XLogP
2.52
TPSA
68.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
83.75
Supplementary Information
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