SMILES:
CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1N1CCN=C1c1ccccc1Molecular Processing
Molecular formula
C27H28N2S
Molecular weight
412.6
Exact mass
412.1973
XLogP
7.57
TPSA
15.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
132.7
Supplementary Information
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