SMILES:
N#CCCC(=S)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=CCS[C@H]12Molecular Processing
Molecular formula
C24H21N3O3S2
Molecular weight
463.58
Exact mass
463.1024
XLogP
3.71
TPSA
82.43
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
126.36
Supplementary Information
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