SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C)c(C(=O)O)s3)C[C@H]2OCC(F)F)nc1ClMolecular Processing
Molecular formula
C18H22ClF2N5O4S
Molecular weight
477.92
Exact mass
477.1049
XLogP
2.75
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
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
0.556
Molar refractivity
110.61
Supplementary Information
Récupération des détails…
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