SMILES:
Cn1ccnc1SCCCC(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1Molecular Processing
Molecular formula
C23H33N5O2S
Molecular weight
443.62
Exact mass
443.2355
XLogP
3.42
TPSA
72.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
124.18
Supplementary Information
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