Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1I
SMILES: Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1I

Molecular Processing

Molecular formula
C21H23IN4O2
Molecular weight
490.35
Exact mass
490.0866
XLogP
3.31
TPSA
65.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
117.6

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt