SMILES:
CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(SCCO)nc1Molecular Processing
Molecular formula
C25H25N5O3S
Molecular weight
475.57
Exact mass
475.1678
XLogP
4.58
TPSA
104.23
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
130.81
Supplementary Information
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