AC1O4PAX
3-butylsulfanyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: CBMicro_027852|NPE653|HMS591M07|CCG-2895|BIM-0027919.P001|AK-968/36945001|SR-01000412929-1|3-butylsulfanyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine|3-(butylsulfanyl)-6-(2-{5-nitro-2-furyl}vinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine|3-(BUTYLSULFANYL)-6-[(E)-2-(5-NITRO-2-FURYL)-1-ETHENYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.11578 g/mol |
| LogP | 4.7758 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.11578 |
| Monoisotopic Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1084.5637 |
Chemical Identifiers
| CAS Number | 354540-59-3 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)/C=C/C4=CC=C(O4)[N+](=O)[O-])N=N1 |
Product Overview
AC1O4PAX (CAS 354540-59-3), with molecular formula C20H19N5O4S and molecular weight 425.11578 g/mol. IUPAC: 3-butylsulfanyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
AC1O4PAX is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »