SMILES:
COC1CCCCC(NC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)C1Molecular Processing
Molecular formula
C22H29ClN4O2
Molecular weight
416.95
Exact mass
416.1979
XLogP
4.07
TPSA
57.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
116.74
Supplementary Information
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