이름: ethyl 4-[(1-(2-piperidino-phenyl)-1-butyl)-aminocarbonylmethyl]-cinnamate
SMILES:
CCCC(c1ccccc1N1CCCCC1)C(C(N)=O)c1ccc(C=CC(=O)OCC)cc1Molecular Processing
Molecular formula
C28H36N2O3
Molecular weight
448.61
Exact mass
448.2726
XLogP
5.41
TPSA
72.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
134.2
Supplementary Information
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