SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccsc3C)CCC1)N(C)CC2Molecular Processing
Molecular formula
C27H31NO2S
Molecular weight
433.62
Exact mass
433.2076
XLogP
6.3
TPSA
21.7
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
127.43
Supplementary Information
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