AC1M006I
13-[(4-fluorophenyl)methylsulfanyl]-4,4-dimethyl-8-phenyl-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: 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (4-FLUOROBENZYL) SULFIDE|8-((4-fluorobenzyl)thio)-2,2-dimethyl-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-[(4-fluorobenzyl)sulfanyl]-2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C27H22FN3OS2 |
|---|---|
| Molecular Weight | 487.11884 g/mol |
| LogP | 7.1892 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.11884 |
| Monoisotopic Mass | 487.11884 |
| Heavy Atoms | 34 |
| Complexity | 1514.7919 |
Chemical Identifiers
| CAS Number | 577786-94-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC5=CC=C(C=C5)F)C6=CC=CC=C6)C |
Product Overview
AC1M006I (CAS 577786-94-8), with molecular formula C27H22FN3OS2 and molecular weight 487.11884 g/mol. IUPAC: 13-[(4-fluorophenyl)methylsulfanyl]-4,4-dimethyl-8-phenyl-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.