AC1N8R9D
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]-N-(4-methoxyphenyl)acetamide
Also Known As: 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)-N-(4-methoxyphenyl)acetamide|2-(7,7-Dimethyl-4-phenyl-6,9-dihydro-7H-8-oxa-1,2,3a,5-tetraaza-cyclopenta[a]naphthalen-3-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide|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]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.16782 g/mol |
| LogP | 4.382 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Monoisotopic Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1336.4324 |
Chemical Identifiers
| CAS Number | 836635-17-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC)C |
Product Overview
AC1N8R9D (CAS 836635-17-7), with molecular formula C25H25N5O3S and molecular weight 475.16782 g/mol. IUPAC: 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]-N-(4-methoxyphenyl)acetamide.
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