AC1LKTN5 structure

AC1LKTN5

2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: Oprea1_740158|Oprea1_810008|BAS 00432646|AB00086123-01|AG-690/10677033|SR-01000492510-1|5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one|3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|2-(2-oxo-2-phenylethylthio)-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-4-one|2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-allyl-2-((2-oxo-2-phenylethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

CAS: 307341-17-9
Molecular Formula C21H20N2O2S2
Molecular Weight 396.09662 g/mol
LogP 4.4978
Topological Polar Surface Area 51.96 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 396.09662
Monoisotopic Mass 396.09662
Heavy Atoms 27
Complexity 1067.2155

Chemical Identifiers

CAS Number 307341-17-9
SMILES C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCCC4

Product Overview

AC1LKTN5 (CAS 307341-17-9), with molecular formula C21H20N2O2S2 and molecular weight 396.09662 g/mol. IUPAC: 2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.

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