200,000+ products from a single source!
sales@angenechem.com
119377-08-1 | 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(3-pyridinyl)-, ethyl ester
CAS No: 119377-08-1 Catalog No: AG000P71 MDL No:
Product Description
Catalog Number:
AG000P71
Chemical Name:
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(3-pyridinyl)-, ethyl ester
CAS Number:
119377-08-1
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
IUPAC Name:
ethyl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
InChI:
InChI=1S/C19H19N3O2/c1-2-24-19(23)16-10-14-13-7-3-4-8-15(13)21-18(14)17(22-16)12-6-5-9-20-11-12/h3-9,11,16-17,21-22H,2,10H2,1H3
InChI Key:
ZFLNWCZNOYUZFZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NC(c2cccnc2)c2c(C1)c1ccccc1[nH]2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.