이름: biphenyl-2-ylcarbamic acid 1-[2-(benzylmethylamino)ethyl]piperidin-4-yl ester
SMILES:
O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNCCc2ccccc2)CC1Molecular Processing
Molecular formula
C28H33N3O2
Molecular weight
443.59
Exact mass
443.2573
XLogP
5.2
TPSA
53.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
134.46
Supplementary Information
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