AC1N8WEI
[5-(1,3-benzodioxol-5-yl)-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate
Also Known As: 3-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate|AO-022/43387541|3-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate|[5-(1,3-benzodioxol-5-yl)-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.11716 g/mol |
| LogP | 3.78882 |
| Topological Polar Surface Area | 79.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.11716 |
| Monoisotopic Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 1498.1669 |
Chemical Identifiers
| CAS Number | 850751-13-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=CN2C3=CC4=C(C=C3)OCO4)OC(=O)C)C5=NC6=CC=CC=C6N15 |
Product Overview
AC1N8WEI (CAS 850751-13-2), with molecular formula C22H16N4O4 and molecular weight 400.11716 g/mol. IUPAC: [5-(1,3-benzodioxol-5-yl)-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate.
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