C22H20BrN3OS2
13-[(4-bromophenyl)methylsulfanyl]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene
Also Known As: 4-BROMOBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE|8-((4-bromobenzyl)thio)-2,2,5-trimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-[(4-bromobenzyl)sulfanyl]-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C22H20BrN3OS2 |
|---|---|
| Molecular Weight | 485.02313 g/mol |
| LogP | 6.45402 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.02313 |
| Monoisotopic Mass | 485.02313 |
| Heavy Atoms | 29 |
| Complexity | 1234.7523 |
Chemical Identifiers
| CAS Number | 836627-07-7 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)Br)SC3=N1)(C)C |
Product Overview
C22H20BrN3OS2 (CAS 836627-07-7), with molecular formula C22H20BrN3OS2 and molecular weight 485.02313 g/mol. IUPAC: 13-[(4-bromophenyl)methylsulfanyl]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene.
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