AC1NKOT6 structure

AC1NKOT6

13-tert-butyl-N-(3-morpholin-4-ylpropyl)-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-(3-morpholinopropyl)-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-[3-(morpholin-4-yl)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide

CAS: 899401-93-5
Molecular Formula C23H32N6O2S
Molecular Weight 456.23074 g/mol
LogP 2.9421
Topological Polar Surface Area 84.65 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 456.23074
Monoisotopic Mass 456.23074
Heavy Atoms 32
Complexity 1125.0969

Chemical Identifiers

CAS Number 899401-93-5
SMILES CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCCCN5CCOCC5

Product Overview

AC1NKOT6 (CAS 899401-93-5), with molecular formula C23H32N6O2S and molecular weight 456.23074 g/mol. IUPAC: 13-tert-butyl-N-(3-morpholin-4-ylpropyl)-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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