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126164-68-9 | Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)-
CAS No: 126164-68-9 Catalog No: AG000RX2 MDL No:
Product Description
Catalog Number:
AG000RX2
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)-
CAS Number:
126164-68-9
Molecular Formula:
C23H23Cl2NO2
Molecular Weight:
416.3402
IUPAC Name:
N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)adamantane-1-carboxamide
InChI:
InChI=1S/C23H23Cl2NO2/c24-18-2-1-3-19(25)20(18)26-21(28)23-11-14-8-15(12-23)10-22(9-14,13-23)16-4-6-17(27)7-5-16/h1-7,14-15,27H,8-13H2,(H,26,28)
InChI Key:
NJXIWWHQAWGLTN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)Nc1c(Cl)cccc1Cl
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.111g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.342g/mol
Monoisotopic Mass:
415.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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