SMILES:
CCOC(=O)c1sc(-n2ncc3c2CCC(NC(=O)c2nc(Cl)c(CC)[nH]2)C3)nc1CMolecular Processing
Molecular formula
C20H23ClN6O3S
Molecular weight
462.96
Exact mass
462.1241
XLogP
3.04
TPSA
114.79
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
116.18
Supplementary Information
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