SMILES:
CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3cccc(N)c3F)c(-c3ccnc(Cl)n3)s2)CC1Molecular Processing
Molecular formula
C24H27ClFN5O2S
Molecular weight
504.03
Exact mass
503.1558
XLogP
5.93
TPSA
94.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
132.35
Supplementary Information
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