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188412-57-9 | 9H-Carbazole, 1-heptyl-3,4-dimethoxy-2-methyl-
CAS No: 188412-57-9 Catalog No: AG002GVD MDL No:
Product Description
Catalog Number:
AG002GVD
Chemical Name:
9H-Carbazole, 1-heptyl-3,4-dimethoxy-2-methyl-
CAS Number:
188412-57-9
Molecular Formula:
C22H29NO2
Molecular Weight:
339.4712
IUPAC Name:
1-heptyl-3,4-dimethoxy-2-methyl-9H-carbazole
InChI:
InChI=1S/C22H29NO2/c1-5-6-7-8-9-12-16-15(2)21(24-3)22(25-4)19-17-13-10-11-14-18(17)23-20(16)19/h10-11,13-14,23H,5-9,12H2,1-4H3
InChI Key:
IPDBZJZDENIFBG-UHFFFAOYSA-N
SMILES:
CCCCCCCc1c(C)c(OC)c(c2c1[nH]c1c2cccc1)OC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.479g/mol
Monoisotopic Mass:
339.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Anti-tuberculosis activity and structure-activity relationships of oxygenated tricyclic carbazole alkaloids and synthetic derivatives. | Bioorganic & medicinal chemistry 20171115 |
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