Name: 1.f
SMILES:
CCCCC1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CCc1cnc[nH]1Molecular Processing
Molecular formula
C23H29N5O2
Molecular weight
407.52
Exact mass
407.2321
XLogP
3.99
TPSA
76.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
115.1
Supplementary Information
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