SMILES:
CCOC(=O)c1ccccc1CCC(=O)Nc1cccc(C=Cc2nc(C3CCC3)cs2)c1Molecular Processing
Molecular formula
C27H28N2O3S
Molecular weight
460.6
Exact mass
460.1821
XLogP
6.33
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
133.43
Supplementary Information
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