AC1NKY1L
1'-[(2-chlorophenyl)methyl]spiro[1,3,9-triazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2(11),3,5,7,15,17,19-heptaene-13,5'-1,3-diazinane]-2',4',6',10-tetrone
Also Known As: 1'-(2-chlorobenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone|1'-(2-chlorobenzyl)-2'-hydroxy-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
| Molecular Formula | C29H22ClN5O4 |
|---|---|
| Molecular Weight | 539.13605 g/mol |
| LogP | 3.2728 |
| Topological Polar Surface Area | 104.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 539.13605 |
| Monoisotopic Mass | 539.13605 |
| Heavy Atoms | 39 |
| Complexity | 1785.2966 |
Chemical Identifiers
| CAS Number | 879442-29-2 |
|---|---|
| SMILES | C1CN2C(C3=CC=CC=C31)C4(CC5=C2N=C6C=CC=CN6C5=O)C(=O)NC(=O)N(C4=O)CC7=CC=CC=C7Cl |
Product Overview
AC1NKY1L (CAS 879442-29-2), with molecular formula C29H22ClN5O4 and molecular weight 539.13605 g/mol. IUPAC: 1'-[(2-chlorophenyl)methyl]spiro[1,3,9-triazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2(11),3,5,7,15,17,19-heptaene-13,5'-1,3-diazinane]-2',4',6',10-tetrone.
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