AC1LYLHA structure

AC1LYLHA

12-benzyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one

Also Known As: Oprea1_421334|BAS 01312922|4-benzyl-1-mercapto-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-benzyl-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-benzyl-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4,3-a]quina zoline-6,1'-cyclohexane]-5-one|4-benzyl-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

CAS: 337488-13-8
Molecular Formula C25H24N4OS
Molecular Weight 428.16708 g/mol
LogP 5.02689
Topological Polar Surface Area 55.09 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 428.16708
Monoisotopic Mass 428.16708
Heavy Atoms 31
Complexity 1407.229

Chemical Identifiers

CAS Number 337488-13-8
SMILES C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NNC(=S)N45)CC6=CC=CC=C6

Product Overview

AC1LYLHA (CAS 337488-13-8), with molecular formula C25H24N4OS and molecular weight 428.16708 g/mol. IUPAC: 12-benzyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.

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