AC1NKDOL
7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 1-(4-chlorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile|1-(4-chlorobenzyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide|1-(4-chlorobenzyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C19H12ClN5O |
|---|---|
| Molecular Weight | 361.07303 g/mol |
| LogP | 2.70205 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.07303 |
| Monoisotopic Mass | 361.07303 |
| Heavy Atoms | 26 |
| Complexity | 1312.825 |
Chemical Identifiers
| CAS Number | 893702-40-4 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=C(C=C4)Cl)C#N)C(=O)N2C=C1 |
Product Overview
AC1NKDOL (CAS 893702-40-4), with molecular formula C19H12ClN5O and molecular weight 361.07303 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
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