SMILES:
CCOC(=O)C1(CCCn2c(=O)ccc3cccnc32)CCN(CCSc2cccs2)CC1Molecular Processing
Molecular formula
C25H31N3O3S2
Molecular weight
485.68
Exact mass
485.1807
XLogP
4.68
TPSA
64.43
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
135.02
Supplementary Information
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