CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCCc2ccc(C)cc2C)c1
SMILES: CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCCc2ccc(C)cc2C)c1

Molecular Processing

Molecular formula
C36H49N3O3
Molecular weight
571.81
Exact mass
571.3774
XLogP
5.8
TPSA
81.67
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
172.18

Supplementary Information

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