CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1C=NOC
SMILES: CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1C=NOC

Molecular Processing

Molecular formula
C20H27ClN6O5S
Molecular weight
498.99
Exact mass
498.1452
XLogP
2.26
TPSA
131.03
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
33
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
0.55
Molar refractivity
124.53

Supplementary Information

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