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

Molecular Processing

Molecular formula
C18H23ClFN5O4S
Molecular weight
459.93
Exact mass
459.1143
XLogP
2.53
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
110.47

Supplementary Information

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