SMILES:
COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)CC3CCO3)c(SC)nn12Molecular Processing
Molecular formula
C25H31N3O2S
Molecular weight
437.61
Exact mass
437.2137
XLogP
5.35
TPSA
39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
127.73
Supplementary Information
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