AC1MFJW3
6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: Oprea1_280289|AK-968/12972002|6-[5-(5-chloro-2-methylphenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine|6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine|6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H17ClN4O2S |
|---|---|
| Molecular Weight | 436.07608 g/mol |
| LogP | 5.98542 |
| Topological Polar Surface Area | 73.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.07608 |
| Monoisotopic Mass | 436.07608 |
| Heavy Atoms | 30 |
| Complexity | 1243.5471 |
Chemical Identifiers
| CAS Number | 355000-93-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC |
Product Overview
AC1MFJW3 (CAS 355000-93-0), with molecular formula C22H17ClN4O2S and molecular weight 436.07608 g/mol. IUPAC: 6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
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