CCCCOC(=O)C(CCc1ccccc1)NC1CSC(c2cccs2)CN(CC(=O)OC(C)(C)C)C1=O
SMILES: CCCCOC(=O)C(CCc1ccccc1)NC1CSC(c2cccs2)CN(CC(=O)OC(C)(C)C)C1=O

Molecular Processing

Molecular formula
C29H40N2O5S2
Molecular weight
560.78
Exact mass
560.2379
XLogP
5.01
TPSA
84.94
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
153.28

Supplementary Information

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