SMILES:
N#CN=c1[nH]c2ccccc2n1C1CCN(CC(=O)c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C22H21N5O3
Molecular weight
403.44
Exact mass
403.1644
XLogP
2.6
TPSA
95.64
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
109.07
Supplementary Information
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