AC1NSK6M
3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: Oprea1_872427|BAS 00429601|AB00090658-01|AG-690/36788035|ethyl 6-(2-phenylvinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide|SR-01000409603-1|3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine|(E)-3-(ethylthio)-6-styryl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepine|3-(ethylsulfanyl)-6-[(E)-2-phenylethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C20H18N4OS |
|---|---|
| Molecular Weight | 362.12012 g/mol |
| LogP | 4.4944 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.12012 |
| Monoisotopic Mass | 362.12012 |
| Heavy Atoms | 26 |
| Complexity | 930.1041 |
Chemical Identifiers
| CAS Number | 313982-27-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)/C=C/C4=CC=CC=C4)N=N1 |
Product Overview
AC1NSK6M (CAS 313982-27-3), with molecular formula C20H18N4OS and molecular weight 362.12012 g/mol. IUPAC: 3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
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