CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C2=CC(=C(C=C2)Cl)Cl)C3(CCCCC3)O
Название: tert-butyl N-[1-[2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperidin-4-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C2=CC(=C(C=C2)Cl)Cl)C3(CCCCC3)O

Molecular Processing

Molecular formula
C24H34Cl2N2O4
Molecular weight
485.45
Exact mass
484.1896
XLogP
5.29
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
126.21

Supplementary Information

InChIKey: AJWBWINPKIKGJR-UHFFFAOYSA-N
Синонимы
AJWBWINPKIKGJR-UHFFFAOYSA-Ntert-butyl {1-[(3,4-dichlorophenyl)(1-hydroxycyclohexyl)acetyl]piperidin-4-yl}carbamatetert-butyl{1-[(3,4-dichlorophenyl)(1-hydroxycyclohexyl)acetyl]piperidin-4-yl}carbamate
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