SMILES:
O=C(COc1ccccc1)NC(Cc1cc(Cl)c2cccnc2c1OCc1ccccc1)c1cccc(CN2CCCC2)c1Molecular Processing
Molecular formula
C37H36ClN3O3
Molecular weight
606.17
Exact mass
605.2445
XLogP
7.54
TPSA
63.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.243
Molar refractivity
175
Supplementary Information
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