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74300-21-3 | 1H-Pyrido[3,4-b]indol-1-one, 2-butyl-2,3,4,9-tetrahydro-
CAS No: 74300-21-3 Catalog No: AG005CFY MDL No:
Product Description
Catalog Number:
AG005CFY
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2-butyl-2,3,4,9-tetrahydro-
CAS Number:
74300-21-3
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
2-butyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C15H18N2O/c1-2-3-9-17-10-8-12-11-6-4-5-7-13(11)16-14(12)15(17)18/h4-7,16H,2-3,8-10H2,1H3
InChI Key:
GMTVDMHBAFKTOI-UHFFFAOYSA-N
SMILES:
CCCCN1CCc2c(C1=O)[nH]c1c2cccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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