AC1LJZMH structure

AC1LJZMH

N-(2-fluorophenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide

Also Known As: ChemDiv1_008983|Oprea1_344544|HMS612I07|BAS 04913271|AB00713766-01|AF-399/15031056|SR-01000477049-1|2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide|N-(2-fluorophenyl)-2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide|N-(2-Fluorophenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide|2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-fluorophenyl)acetamide|2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-fluorophenyl)acetamide|N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]p yrimidino[4,5-b]thiophen-2-ylthio))acetamide|N-(2-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS: 314261-08-0
Molecular Formula C20H18FN3O2S2
Molecular Weight 415.08246 g/mol
LogP 4.0026
Topological Polar Surface Area 63.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 415.08246
Monoisotopic Mass 415.08246
Heavy Atoms 28
Complexity 1136.4166

Chemical Identifiers

CAS Number 314261-08-0
SMILES C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)SC4=C2CCC4

Product Overview

AC1LJZMH (CAS 314261-08-0), with molecular formula C20H18FN3O2S2 and molecular weight 415.08246 g/mol. IUPAC: N-(2-fluorophenyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.

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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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