AC1MWSCM
N-(4-chlorophenyl)-2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetamide
Also Known As: A3757/0159307|N-(4-chlorophenyl)-2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide|N-(4-chlorophenyl)-2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetamide
| Molecular Formula | C24H22ClN5O2S |
|---|---|
| Molecular Weight | 479.1183 g/mol |
| LogP | 5.0268 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.1183 |
| Monoisotopic Mass | 479.1183 |
| Heavy Atoms | 33 |
| Complexity | 1322.4496 |
Chemical Identifiers
| CAS Number | 727673-92-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)Cl)C |
Product Overview
AC1MWSCM (CAS 727673-92-9), with molecular formula C24H22ClN5O2S and molecular weight 479.1183 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]acetamide.
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