AC1LLT6K
11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: BAS 07418425|KS-00003RO8|SS-0142|11-(3,4-dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one|SR-01000322725-1|11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione|11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),10,12-tetraene-4,6-dione|7-(3,4-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)hydropyrimidino[4',5'-4,5 ]thiopheno[2,3-b]pyridin-2-one|7-(3,4-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2(1H)-one
| Molecular Formula | C18H12F3N3O4S |
|---|---|
| Molecular Weight | 423.05005 g/mol |
| LogP | 3.5291 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.05005 |
| Monoisotopic Mass | 423.05005 |
| Heavy Atoms | 29 |
| Complexity | 1371.2728 |
Chemical Identifiers
| CAS Number | 674805-72-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=O)NC(=O)N4)OC |
Product Overview
AC1LLT6K (CAS 674805-72-2), with molecular formula C18H12F3N3O4S and molecular weight 423.05005 g/mol. IUPAC: 11-(3,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
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