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141276-50-8

141276-50-8 | 1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro-

CAS No: 141276-50-8 Catalog No: AG006YK9 MDL No:

Product Description

Catalog Number:
AG006YK9
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2-(2-azidobenzoyl)-2,3,4,9-tetrahydro-
CAS Number:
141276-50-8
Molecular Formula:
C18H13N5O2
Molecular Weight:
331.3281
IUPAC Name:
2-(2-azidobenzoyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C18H13N5O2/c19-22-21-15-8-4-2-6-13(15)17(24)23-10-9-12-11-5-1-3-7-14(11)20-16(12)18(23)25/h1-8,20H,9-10H2
InChI Key:
AWGCFBCYZZLIGD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1C(=O)N1CCc2c(C1=O)[nH]c1c2cccc1

Properties

Complexity:
602  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.107g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
331.335g/mol
Monoisotopic Mass:
331.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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