SMILES:
CCOC(=O)C(Cc1cccc2c1ccn2Cc1csc(-c2ccc(C(C)C)cc2)n1)OCCMolecular Processing
Molecular formula
C28H32N2O3S
Molecular weight
476.64
Exact mass
476.2134
XLogP
6.45
TPSA
53.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
138.43
Supplementary Information
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