SMILES:
CN(C)C(=O)n1cc(C(=O)C2CSC(c3cccnc3)N2)c2ccccc21Molecular Processing
Molecular formula
C20H20N4O2S
Molecular weight
380.47
Exact mass
380.1307
XLogP
3.15
TPSA
67.23
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
107.11
Supplementary Information
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