COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(-c4ccc(N(C)C)cc4)c3C2)CN1C(=O)OCc1ccccc1
SMILES: COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(-c4ccc(N(C)C)cc4)c3C2)CN1C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C31H33N3O6
Molecular weight
543.62
Exact mass
543.2369
XLogP
4.82
TPSA
88.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
149.47

Supplementary Information

Details werden geladen…

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