CCc1[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(=O)O)s3)C[C@H]2OCC(F)F)nc1Cl
SMILES: CCc1[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(=O)O)s3)C[C@H]2OCC(F)F)nc1Cl

Molecular Processing

Molecular formula
C17H20ClF2N5O4S
Molecular weight
463.89
Exact mass
463.0893
XLogP
2.44
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
105.88

Supplementary Information

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