AC1NKIFD structure

AC1NKIFD

N-(3-hydroxypropyl)-15-methyl-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: N-(3-hydroxypropyl)-11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide|N-(3-hydroxypropyl)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide

CAS: 896830-65-2
Molecular Formula C16H19N5O2S
Molecular Weight 345.12595 g/mol
LogP 1.891
Topological Polar Surface Area 92.41 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 345.12595
Monoisotopic Mass 345.12595
Heavy Atoms 24
Complexity 916.1069

Chemical Identifiers

CAS Number 896830-65-2
SMILES CC1CCCC2=C1C3=C(S2)N=CN4C3=NC(=N4)C(=O)NCCCO

Product Overview

AC1NKIFD (CAS 896830-65-2), with molecular formula C16H19N5O2S and molecular weight 345.12595 g/mol. IUPAC: N-(3-hydroxypropyl)-15-methyl-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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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