الاسم: Compound 76B
SMILES:
O=C(O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)nc1Molecular Processing
Molecular formula
C22H26N6O3
Molecular weight
422.49
Exact mass
422.2066
XLogP
1.81
TPSA
101.9
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
116.54
Supplementary Information
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