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101782-20-1 | 1H-Indole-3-carboxylic acid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester
CAS No: 101782-20-1 Catalog No: AG0005KR MDL No:MFCD00408072
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 |
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