Cc1cc(SC2=C(O)CC(CCc3ccccn3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO
SMILES: Cc1cc(SC2=C(O)CC(CCc3ccccn3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO

Molecular Processing

Molecular formula
C27H35NO4S
Molecular weight
469.65
Exact mass
469.2287
XLogP
6.02
TPSA
79.65
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
132.15

Supplementary Information

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