SMILES:
O=C(O)CN(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21Molecular Processing
Molecular formula
C25H28N4O2
Molecular weight
416.53
Exact mass
416.2212
XLogP
3.73
TPSA
78.35
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
119.18
Supplementary Information
Загрузка подробностей…
Участвует в 1 реакциях→