SMILES:
CC1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3NC(=O)OC(C)(C)C)cnn2C)CCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C29H37F2N7O5S
Molecular weight
633.72
Exact mass
633.2545
XLogP
5.87
TPSA
130.92
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
163.1
Supplementary Information
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