Name: compound 2.1
SMILES:
Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1Molecular Processing
Molecular formula
C23H32N6
Molecular weight
392.55
Exact mass
392.2688
XLogP
4.48
TPSA
69.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
119.28
Supplementary Information
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