SMILES:
CC(C)(C)OC(=O)n1cc(C(=O)C2CSC(c3cccnc3)N2)c2ccccc21Molecular Processing
Molecular formula
C22H23N3O3S
Molecular weight
409.51
Exact mass
409.146
XLogP
4.41
TPSA
73.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
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
0.318
Molar refractivity
114.26
Supplementary Information
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