SMILES:
COc1cnc(N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)nc1Molecular Processing
Molecular formula
C23H25N5O3
Molecular weight
419.49
Exact mass
419.1957
XLogP
3.41
TPSA
84.59
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
114.95
Supplementary Information
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