O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3ncc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1
SMILES: O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3ncc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1

Molecular Processing

Molecular formula
C33H43N5O2
Molecular weight
541.74
Exact mass
541.3417
XLogP
5.25
TPSA
74.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
156.23

Supplementary Information

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