SMILES:
CCOC(=O)C1(c2csc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](OC)C3)n2)CC1Molecular Processing
Molecular formula
C21H28ClN5O4S
Molecular weight
482.01
Exact mass
481.1551
XLogP
2.7
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
121.52
Supplementary Information
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