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17019-04-4

17019-04-4 | 9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-9-(phenylmethyl)-

CAS No: 17019-04-4 Catalog No: AG0078Y4 MDL No:

Product Description

Catalog Number:
AG0078Y4
Chemical Name:
9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-9-(phenylmethyl)-
CAS Number:
17019-04-4
Molecular Formula:
C20H18N2O
Molecular Weight:
302.3697
IUPAC Name:
9-benzyl-7-methoxy-1-methylpyrido[3,4-b]indole
InChI:
InChI=1S/C20H18N2O/c1-14-20-18(10-11-21-14)17-9-8-16(23-2)12-19(17)22(20)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChI Key:
NPVMXOVNSVOTAV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(Cc1ccccc1)c1c2ccnc1C

Properties

Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.142g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.377g/mol
Monoisotopic Mass:
302.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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