SMILES:
CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(C)c1)CCCC3Molecular Processing
Molecular formula
C24H27NO2S
Molecular weight
393.55
Exact mass
393.1763
XLogP
6.43
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
116.46
Supplementary Information
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