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26489-09-8 | Carbamic acid, [2-(1-methylethyl)-6-(4-morpholinyl)-2-(1-naphthalenyl)hexyl]-, ethyl ester (9CI)
CAS No: 26489-09-8 Catalog No: AG002TFZ MDL No:
Product Description
Catalog Number:
AG002TFZ
Chemical Name:
Carbamic acid, [2-(1-methylethyl)-6-(4-morpholinyl)-2-(1-naphthalenyl)hexyl]-, ethyl ester (9CI)
CAS Number:
26489-09-8
Molecular Formula:
C26H38N2O3
Molecular Weight:
426.5915
IUPAC Name:
ethyl N-(6-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylhexyl)carbamate
InChI:
InChI=1S/C26H38N2O3/c1-4-31-25(29)27-20-26(21(2)3,14-7-8-15-28-16-18-30-19-17-28)24-13-9-11-22-10-5-6-12-23(22)24/h5-6,9-13,21H,4,7-8,14-20H2,1-3H3,(H,27,29)
InChI Key:
QEVLCQZHYKHXCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCC(c1cccc2c1cccc2)(C(C)C)CCCCN1CCOCC1
NSC Number:
171413
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.288g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.601g/mol
Monoisotopic Mass:
426.288g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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