SMILES:
CCCCCCOC(=O)N(C)SN(C(=O)N1CC2(C(=O)OC)CCc3cc(Cl)ccc3C2=N1)c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C29H32ClF3N4O5S
Molecular weight
641.11
Exact mass
640.1734
XLogP
7.32
TPSA
91.75
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
157.63
Supplementary Information
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