AC1NKVAH structure

AC1NKVAH

2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxospiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile

Also Known As: KS-00003RLH|SS-0032|2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile|A3622/0153593|2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxospiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile|2'-amino-1-(3-bromobenzyl)-6'-(hydroxymethyl)-2,8'-dioxo-1,2-dihydro-8'H-spiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile|2'-Amino-1-(3-bromobenzyl)-6'-(hydroxymethyl)-2,8'-dioxo-8'H-spiro[indoline-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile|Spiro 4-[2-amino-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-6]pyran-3-carbonitrile]-3'-[1'-(3-bromobenzyl)-1',3'-dihy|Spiro 4-[2-amino-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-6]pyran-3-carbonitrile]-3'-[1'-(3-bromobenzyl)-1',3'-dihydro-2h-indol-2'-one]

CAS: 697232-61-4
Molecular Formula C24H16BrN3O5
Molecular Weight 505.02734 g/mol
LogP 2.81378
Topological Polar Surface Area 129.79 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 505.02734
Monoisotopic Mass 505.02734
Heavy Atoms 33
Complexity 1454.9391

Chemical Identifiers

CAS Number 697232-61-4
SMILES C1=CC=C2C(=C1)C3(C(=C(OC4=C3OC(=CC4=O)CO)N)C#N)C(=O)N2CC5=CC(=CC=C5)Br

Product Overview

AC1NKVAH (CAS 697232-61-4), with molecular formula C24H16BrN3O5 and molecular weight 505.02734 g/mol. IUPAC: 2'-amino-1-[(3-bromophenyl)methyl]-6'-(hydroxymethyl)-2,8'-dioxospiro[indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile.

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