SMILES:
Nc1nc(Nc2ccc(N3CCN(CC4CC4)CC3)cc2)sc1C(=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C25H27N5O3S
Molecular weight
477.59
Exact mass
477.1835
XLogP
3.96
TPSA
92.95
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
133.63
Supplementary Information
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