이름: biphenyl-2-ylcarbamic acid 1-{2-[(4-hydroxymethyl-2-methoxybenzoyl)methylamino]ethyl}piperidin-4-yl ester
SMILES:
COc1cc(CO)ccc1C(=O)CNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1Molecular Processing
Molecular formula
C30H35N3O5
Molecular weight
517.63
Exact mass
517.2577
XLogP
4.34
TPSA
100.13
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
147.56
Supplementary Information
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