200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 861209-37-2
861209-37-2 | 2-{[1-(4-tert-butylphenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetamide
CAS No: 861209-37-2 Catalog No: AG00IOFD MDL No:MFCD03305578
Product Description
Catalog Number:
AG00IOFD
Chemical Name:
2-{[1-(4-tert-butylphenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetamide
CAS Number:
861209-37-2
Molecular Formula:
C21H23N3OS
Molecular Weight:
365.4918
MDL Number:
MFCD03305578
IUPAC Name:
2-[[1-(4-tert-butylphenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C21H23N3OS/c1-21(2,3)14-9-7-13(8-10-14)19-16-6-4-5-15(16)17(11-22)20(24-19)26-12-18(23)25/h7-10H,4-6,12H2,1-3H3,(H2,23,25)
InChI Key:
BXRWXJCDFZOJSZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)N)nc(c2c1CCC2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.156g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.495g/mol
Monoisotopic Mass:
365.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.