이름: tert-butyl {1-[2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperidin-4-yl}carbamate
SMILES:
CC(C)(C)OC(=O)NC1CCN(CC(c2ccc(Cl)c(Cl)c2)C2(O)CCCCC2)CC1Molecular Processing
Molecular formula
C24H36Cl2N2O3
Molecular weight
471.47
Exact mass
470.2103
XLogP
5.76
TPSA
61.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
126.07
Supplementary Information
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