CBKinase1_007826
2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_007826|CBKinase1_020226|BRD-K36304529-001-01-9|2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-1-phenylethanone|2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone|2-[(4-amino-6,6-dimethyl-5,8-dihydrothiopyrano[4,5]thieno[1,2-c]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
| Molecular Formula | C19H19N3OS3 |
|---|---|
| Molecular Weight | 401.06903 g/mol |
| LogP | 4.8164 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.06903 |
| Monoisotopic Mass | 401.06903 |
| Heavy Atoms | 26 |
| Complexity | 982.6081 |
Chemical Identifiers
| CAS Number | 488733-18-2 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=NC(=NC(=C23)N)SCC(=O)C4=CC=CC=C4)C |
Product Overview
CBKinase1_007826 (CAS 488733-18-2), with molecular formula C19H19N3OS3 and molecular weight 401.06903 g/mol. IUPAC: 2-[(3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-1-phenylethanone.
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