SMILES:
CC(C)Oc1cc(Oc2ncc(C(=O)N3CCC3)s2)cc(C(=O)Nc2ccn(C)n2)c1Molecular Processing
Molecular formula
C21H23N5O4S
Molecular weight
441.51
Exact mass
441.1471
XLogP
3.55
TPSA
98.58
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
116.08
Supplementary Information
Récupération des détails…
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