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(2-piperidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate,Can

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摘 要: (2-piperidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate,Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2N3CCCCC3,InChI: InChI=1/C19H27ClN2O2/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16,(17)22-12-5-2-6-13-22/h7-9,16-17H,2-6,10-13
[Synonyms]

[Structure]
 (2-piperidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate,Can

[ Properties Computed from Structure]
Molecular Weight350.88288 [g/mol]
Molecular FormulaC19H27ClN2O2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass350.176106
MonoIsotopic Mass350.176106
Topological Polar Surface Area41.6
Heavy Atom Count24
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2-piperidin-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate
Canonical SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCCC2N3CCCCC3
InChI: InChI=1/C19H27ClN2O2/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16
(17)22-12-5-2-6-13-22/h7-9,16-17H,2-6,10-13H2,1H3,(H,21,23)/f/h21H

 
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