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]
| 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.