CBKinase1_001036
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-13,13-dimethyl-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: CBKinase1_001036|CBKinase1_013436|Oprea1_533193|BRD-K40007998-001-01-4|2-((2-(4-bromophenyl)-2-oxoethyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one|2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-8,8-dimethyl-3-phenyl-6,9-dihydropyrano[3,4]pyrido[3,5-b]pyrimidin-4-one|2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one|4h-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3,6,8,9-tetrahydro-8,8-dimethyl-3-phenyl-
| Molecular Formula | C26H22BrN3O3S |
|---|---|
| Molecular Weight | 535.0565 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.0565 |
| Monoisotopic Mass | 535.0565 |
| Heavy Atoms | 34 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 267665-53-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C |
| InChIKey | ITWWFBWZTFVBJS-UHFFFAOYSA-N |
Product Overview
CBKinase1_001036 (CAS 267665-53-2), with molecular formula C26H22BrN3O3S and molecular weight 535.0565 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-13,13-dimethyl-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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