SMILES:
CC1CCC(C(=O)N(c2cc(C#CC(C)(C)CCO)sc2C(=O)O)C2CCC(OC3CCOC3)CC2)CC1Molecular Processing
Molecular formula
C30H43NO6S
Molecular weight
545.74
Exact mass
545.2811
XLogP
5.48
TPSA
96.3
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
148.6
Supplementary Information
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