CCCCCCCN(CCc1ccc(CC(SC(C)C)C(=O)OCC)cc1)C(=O)OC(C)(C)C
SMILES: CCCCCCCN(CCc1ccc(CC(SC(C)C)C(=O)OCC)cc1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C28H47NO4S
Molecular weight
493.75
Exact mass
493.3226
XLogP
7.05
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
34
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
143.56

Supplementary Information

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