Home Carboxys 1H-Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester

1H-Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester

CAS No.:
101782-20-1
Catalog Number:
AG0005KR
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
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Product Description
Catalog Number:
AG0005KR
Chemical Name:
1H-Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester
CAS Number:
101782-20-1
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
MDL Number:
MFCD00408072
IUPAC Name:
ethyl 1-cyclohexyl-5-hydroxy-2-methylindole-3-carboxylate
InChI:
InChI=1S/C18H23NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h9-11,13,20H,3-8H2,1-2H3
InChI Key:
CXEMQLWMAUFGHN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c2c1cc(O)cc2)C1CCCCC1
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties