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

Molecular Processing

Molecular formula
C18H25ClN6O3S
Molecular weight
440.96
Exact mass
440.1397
XLogP
1.9
TPSA
126.23
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
111.84

Supplementary Information

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