Cl.O=c1ccc2ncc(F)c3c2n1CC3CN1CC[C@H](NCc2cc3c(cn2)OCS3)[C@H](O)C1
SMILES: Cl.O=c1ccc2ncc(F)c3c2n1CC3CN1CC[C@H](NCc2cc3c(cn2)OCS3)[C@H](O)C1

Molecular Processing

Molecular formula
C23H25ClFN5O3S
Molecular weight
506
Exact mass
505.1351
XLogP
2.12
TPSA
92.51
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
129.23

Supplementary Information

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