SMILES:
Cc1nc2cc(NC(=O)N3CCNCC3COc3cccnc3)ccc2s1.ClMolecular Processing
Molecular formula
C19H22ClN5O2S
Molecular weight
419.94
Exact mass
419.1183
XLogP
3.31
TPSA
79.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
113.72
Supplementary Information
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