SMILES:
Cc1ccc2nc(N3CCS(=O)c4ccccc4C3)nc(NCCCN)c2c1Molecular Processing
Molecular formula
C21H25N5OS
Molecular weight
395.53
Exact mass
395.178
XLogP
2.83
TPSA
84.14
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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
115.2
Supplementary Information
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