AC1NKO56 structure

AC1NKO56

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

CAS: 899412-69-2
Molecular Formula C19H25N5O2S
Molecular Weight 387.17288 g/mol
LogP 2.6006
Topological Polar Surface Area 92.41 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 387.17288
Monoisotopic Mass 387.17288
Heavy Atoms 27
Complexity 1014.6093

Chemical Identifiers

CAS Number 899412-69-2
SMILES CC(CNC(=O)C1=NN2C=NC3=C(C2=N1)C4=C(S3)CC(CC4)C(C)(C)C)O

Product Overview

AC1NKO56 (CAS 899412-69-2), with molecular formula C19H25N5O2S and molecular weight 387.17288 g/mol. IUPAC: 13-tert-butyl-N-(2-hydroxypropyl)-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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