AC1MLQ49
8-[[(4-fluorophenyl)methyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
Also Known As: Oprea1_173042|ASN 05300120|8-[[(4-fluorophenyl)methyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one|8-({[(4-Fluorophenyl)methyl](1-{1-[(furan-2-yl)methyl]-1H-tetrazol-5-yl}propyl)amino}methyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
| Molecular Formula | C28H27FN6O4 |
|---|---|
| Molecular Weight | 530.20776 g/mol |
| LogP | 4.2197 |
| Topological Polar Surface Area | 111.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.20776 |
| Monoisotopic Mass | 530.20776 |
| Heavy Atoms | 39 |
| Complexity | 1630.6448 |
Chemical Identifiers
| CAS Number | 3910-78-9 |
|---|---|
| SMILES | CCC(C1=NN=NN1CC2=CC=CO2)N(CC3=CC=C(C=C3)F)CC4=CC5=CC6=C(C=C5NC4=O)OCCO6 |
Product Overview
AC1MLQ49 (CAS 3910-78-9), with molecular formula C28H27FN6O4 and molecular weight 530.20776 g/mol. IUPAC: 8-[[(4-fluorophenyl)methyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
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