SMILES:
CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)ncc2C(=O)c2c1[nH]c1cc(C#N)ccc21Molecular Processing
Molecular formula
C27H29N5O2
Molecular weight
455.56
Exact mass
455.2321
XLogP
3.61
TPSA
85.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
130.44
Supplementary Information
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