AC1NKOW7 structure

AC1NKOW7

13-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide

Also Known As: 9-(tert-butyl)-N-(2-(2-hydroxyethoxy)ethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide|9-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide

CAS: 899402-77-8
Molecular Formula C20H27N5O3S
Molecular Weight 417.18347 g/mol
LogP 2.2287
Topological Polar Surface Area 101.64 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 417.18347
Monoisotopic Mass 417.18347
Heavy Atoms 29
Complexity 1036.2527

Chemical Identifiers

CAS Number 899402-77-8
SMILES CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCCOCCO

Product Overview

AC1NKOW7 (CAS 899402-77-8), with molecular formula C20H27N5O3S and molecular weight 417.18347 g/mol. IUPAC: 13-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.

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