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501926-82-5

501926-82-5 | 7-methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-indole-3-carboxamide

CAS No: 501926-82-5 Catalog No: AG01EP4R MDL No:

Product Description

Catalog Number:
AG01EP4R
Chemical Name:
7-methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-indole-3-carboxamide
CAS Number:
501926-82-5
Molecular Formula:
C26H37N3O3
Molecular Weight:
439.5903
IUPAC Name:
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
InChI:
InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24-,26+/m1/s1
InChI Key:
VQGDMQICNRCQEH-UFKXBGGNSA-N
SMILES:
COc1cccc2c1n(CCN1CCOCC1)cc2C(=O)N[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2
UNII:
8WXU5YRE25

Properties

Complexity:
694  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
439.283g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
439.6g/mol
Monoisotopic Mass:
439.283g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Literature

Title Journal
Therapeutic utility of cannabinoid receptor type 2 (CB(2)) selective agonists. Journal of medicinal chemistry 20131114

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