AC1LD2CN
1'-acetyl-6-amino-3-[(4-methylphenyl)sulfanylmethyl]spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
Also Known As: AB00402386-08|AM-807/13613007|1'-acetyl-6-amino-3-[(4-methylphenyl)sulfanylmethyl]spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile|1'-acetyl-6-amino-5-cyano-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydrospiro[pyrano[2,3-c]pyrazole-4,4'-piperidine]|1-acetyl-6'-amino-3'-((p-tolylthio)methyl)-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile|1-acetyl-6'-amino-3'-{[(4-methylphenyl)sulfanyl]methyl}-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.15726 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.15726 |
| Monoisotopic Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 354555-64-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34CCN(CC4)C(=O)C)C#N)N |
| InChIKey | GBUNWVBMRVHEFE-UHFFFAOYSA-N |
Product Overview
AC1LD2CN (CAS 354555-64-9), with molecular formula C21H23N5O2S and molecular weight 409.15726 g/mol. IUPAC: 1'-acetyl-6-amino-3-[(4-methylphenyl)sulfanylmethyl]spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile.