SMILES:
CCC1(CC)CN(Cc2cc(-c3ccc(O)cc3Cl)nc3[nH]nc(C)c23)C(C)(C)CN1Molecular Processing
Molecular formula
C24H32ClN5O
Molecular weight
442.01
Exact mass
441.2295
XLogP
5.03
TPSA
77.07
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
126.54
Supplementary Information
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