CC(=O)NC1CC(CO)N(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1
SMILES: CC(=O)NC1CC(CO)N(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1

Molecular Processing

Molecular formula
C26H23ClF3N5O3S
Molecular weight
578.02
Exact mass
577.1162
XLogP
4.3
TPSA
99.82
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
143.1

Supplementary Information

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