SMILES:
O=C1CC(C(=O)Nc2ccc(-c3sc4ccccc4c3Cc3ccc(OCCN4CCCC4)cc3)cc2)CN1Molecular Processing
Molecular formula
C32H33N3O3S
Molecular weight
539.7
Exact mass
539.2243
XLogP
5.71
TPSA
70.67
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
157.42
Supplementary Information
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