CN(C)CCNc1c(F)cccc1C1S[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N1CCC(C)(C)C
SMILES: CN(C)CCNc1c(F)cccc1C1S[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N1CCC(C)(C)C

Molecular Processing

Molecular formula
C35H49FN6O3S
Molecular weight
652.88
Exact mass
652.3571
XLogP
5.65
TPSA
88.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
46
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
183.44

Supplementary Information

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