SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(C(=S)n3ccnc3)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C16H21ClN6O2S
Molecular weight
396.9
Exact mass
396.1135
XLogP
1.47
TPSA
88.07
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
101.44
Supplementary Information
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