SMILES:
O=C(O)c1ccc(NCCCc2ccccc2SCc2ccccc2)nc1Molecular Processing
Molecular formula
C22H22N2O2S
Molecular weight
378.5
Exact mass
378.1402
XLogP
5.12
TPSA
62.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
110.45
Supplementary Information
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