CC1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3NC(=O)OC(C)(C)C)cnn2CC(F)(F)F)CCN1C(=O)OC(C)(C)C
SMILES: CC1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3NC(=O)OC(C)(C)C)cnn2CC(F)(F)F)CCN1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C30H36F5N7O5S
Molecular weight
701.72
Exact mass
701.2419
XLogP
6.89
TPSA
130.92
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
48
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
168.17

Supplementary Information

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