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Home > Indoles and Oxindole > 139564-01-5
139564-01-5 | Cyclopropanecarboxamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-
CAS No: 139564-01-5 Catalog No: AG001BA3 MDL No:
Product Description
Catalog Number:
AG001BA3
Chemical Name:
Cyclopropanecarboxamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-
CAS Number:
139564-01-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
InChI:
InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18)
InChI Key:
HSOHROOUHRUSJR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNC(=O)C1CC1)c[nH]2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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