SMILES:
CCc1n[nH]c(-c2c(Cl)csc2NC(=O)CN2C(=O)CCc3ncccc32)n1Molecular Processing
Molecular formula
C18H17ClN6O2S
Molecular weight
416.89
Exact mass
416.0822
XLogP
3.06
TPSA
103.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
107.62
Supplementary Information
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