AC1LRDHJ
13,13-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 8,8-dimethyl-2-((4-nitrobenzyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one|8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one|8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-6,9-dihydropyrano[3,4]pyrido[3,5-b]pyrimidin-4-one
| Molecular Formula | C25H22N4O4S |
|---|---|
| Molecular Weight | 474.13617 g/mol |
| LogP | 4.8325 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.13617 |
| Monoisotopic Mass | 474.13617 |
| Heavy Atoms | 34 |
| Complexity | 1450.2577 |
Chemical Identifiers
| CAS Number | 587010-32-0 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C |
Product Overview
AC1LRDHJ (CAS 587010-32-0), with molecular formula C25H22N4O4S and molecular weight 474.13617 g/mol. IUPAC: 13,13-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
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