AC1MULWK
ethyl 2-(17-benzyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate|ethyl 2-(11-benzyl-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)-3a,4,5,6,7,7a-hexahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C30H27N5O3S |
|---|---|
| Molecular Weight | 537.1835 g/mol |
| LogP | 5.38 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.1835 |
| Monoisotopic Mass | 537.1835 |
| Heavy Atoms | 39 |
| Complexity | 1842.4624 |
Chemical Identifiers
| CAS Number | 369393-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2C1CCCC2)N3C=NC4=C(C3=O)C5=NC6=CC=CC=C6N=C5N4CC7=CC=CC=C7 |
Product Overview
AC1MULWK (CAS 369393-70-4), with molecular formula C30H27N5O3S and molecular weight 537.1835 g/mol. IUPAC: ethyl 2-(17-benzyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate.
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