SMILES:
CCn1ncc2c(Cl)c3c(nc21)C(O)(C1CCN(C)CC1)c1ccccc1CC3Molecular Processing
Molecular formula
C23H27ClN4O
Molecular weight
410.95
Exact mass
410.1873
XLogP
3.78
TPSA
54.18
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
115.28
Supplementary Information
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