SMILES:
COCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)C(C)CN1C(=O)COc1ccc(Cl)s1Molecular Processing
Molecular formula
C22H24ClN5O4S
Molecular weight
489.99
Exact mass
489.1238
XLogP
2.58
TPSA
110.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
126.16
Supplementary Information
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