SMILES:
CCCCN(C(=O)c1nc(Cl)c(CC)[nH]1)C1CN(c2nc(C)c(C(=O)OCC)s2)C1Molecular Processing
Molecular formula
C20H28ClN5O3S
Molecular weight
454
Exact mass
453.1601
XLogP
3.7
TPSA
91.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
117.73
Supplementary Information
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