SMILES:
CCc1[nH]c(C(=O)NC2CN(c3nc(C(C)C)c(C(=O)O)s3)C2)nc1ClMolecular Processing
Molecular formula
C16H20ClN5O3S
Molecular weight
397.89
Exact mass
397.0975
XLogP
2.52
TPSA
111.21
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.61
Supplementary Information
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