AC1NA4KU
13-(2-bromoprop-2-enylsulfanyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 8-((2-bromoallyl)thio)-2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-[(2-bromoprop-2-en-1-yl)sulfanyl]-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C21H23BrN4O2S2 |
|---|---|
| Molecular Weight | 506.0446 g/mol |
| LogP | 4.9281 |
| Topological Polar Surface Area | 60.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.0446 |
| Monoisotopic Mass | 506.0446 |
| Heavy Atoms | 30 |
| Complexity | 1141.1793 |
Chemical Identifiers
| CAS Number | 369403-50-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC(=C)Br)N5CCOCC5)C |
Product Overview
AC1NA4KU (CAS 369403-50-9), with molecular formula C21H23BrN4O2S2 and molecular weight 506.0446 g/mol. IUPAC: 13-(2-bromoprop-2-enylsulfanyl)-4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
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